NP-MRD: Showing NP-Card for 6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol (NP0314797)

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Record Information

Version

2.0

Created at

2022-09-11 13:05:46 UTC

Updated at

2022-09-11 13:05:46 UTC

NP-MRD ID

NP0314797

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol

Description

6,10,10,14,23,27,27,31-Octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]Heptatriaconta-1(36),2,4,16,18,33(37),34-heptaene-18,35,36-triol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. 6,10,10,14,23,27,27,31-Octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]Heptatriaconta-1(36),2,4,16,18,33(37),34-heptaene-18,35,36-triol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261512452D          

 48 56  0  0  0  0            999 V2000
   -2.2414    2.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    1.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9572    3.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 35 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 31 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 29 46  1  0  0  0  0
 46 47  2  0  0  0  0
 21 47  1  0  0  0  0
 25 47  1  0  0  0  0
 23 48  1  0  0  0  0
  7 48  1  0  0  0  0
 12 48  1  0  0  0  0
M  END

     RDKit          3D

102110  0  0  0  0  0  0  0  0999 V2000
   -6.5297    3.0729   -0.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7321    1.7087    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5962    2.0042    1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4971    0.7948   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6981    0.2020   -1.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2916   -0.1430   -1.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6207    0.4266   -0.3541 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6274    1.4851   -0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7313   -0.6405    0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186   -0.8106   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994   -1.7326    0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743   -2.3132    1.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1466   -2.8339    2.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -2.7464    2.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549   -3.2433    3.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477   -2.1784    1.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2713   -1.6878    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -1.0899   -1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6081   -1.0753   -2.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514   -1.2863   -2.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -0.8640   -3.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7406   -0.8211   -4.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.6943   -3.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   -0.7262   -2.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147   -0.9202   -1.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658   -0.9566    0.0281 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9814   -2.0637    0.8481 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9281   -1.0438   -0.1411 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3926   -1.2612   -1.5484 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2353   -2.7536   -1.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295   -0.9696   -1.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3768    0.2376   -1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3953    0.9976   -0.2846 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2526    1.9938    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5339    3.2093    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2223    2.5451   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1372    1.4046    1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6122    0.2539    2.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7913   -0.6567    1.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163    0.0087    0.6050 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8118    0.7003    1.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5688   -0.5682   -2.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4059   -2.3869    1.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355   -1.3619    1.4414 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5461   -2.1056    1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5344   -0.3631    2.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7036    0.4431    1.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4268    1.1108    0.6870 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8742    3.6834    0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3233    3.0224   -1.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5415    3.5826   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4388    2.6434    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1022    1.1402    1.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1083    2.6867    2.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3526    1.4021   -1.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0129   -0.0230   -0.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2408   -0.6683   -2.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7182    0.9743   -2.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167    0.0843   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2235   -1.2818   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3317    1.2618   -1.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1092    2.4902   -0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    1.6099   -0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2290   -0.0936   -1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4903   -3.2947    3.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1294   -3.1907    2.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -1.3221   -3.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063   -0.9191   -4.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510   -0.5274   -4.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121   -0.0516    0.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2283   -2.0265    0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069   -2.8597   -3.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1698   -3.3080   -1.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213   -3.2116   -1.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9338   -0.9485   -2.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4574   -1.8492   -1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2672    0.0349   -0.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    0.9194   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7003    1.5338   -0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    3.3582    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    3.2755    2.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0659    4.1762    0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750    1.8858   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4149    2.2046    2.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.1014    1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2556   -0.0679    2.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3138   -2.9229    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9815   -2.5662    1.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937   -1.3876    0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6769    0.3035    2.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8298   -0.8844    3.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6087   -0.1757    2.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    1.2437    2.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8274    2.0550    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
 35 34  1  0
 34 36  1  0
 34 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  1
 40 33  1  0
 33 32  1  0
 32 31  1  0
 31 29  1  0
 29 30  1  6
 29 42  1  0
 42 24  1  0
 24 23  2  0
 23 21  1  0
 21 22  1  0
 21 19  2  0
 19 20  1  0
 19 18  1  0
 18 25  2  0
 25 26  1  0
 26 27  1  0
 27 16  1  0
 16 14  2  0
 14 15  1  0
 14 13  1  0
 13 12  2  0
 12 43  1  0
 43 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48  2  1  0
  2  1  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 17  2  0
 26 28  1  0
 33 34  1  0
 28 29  1  0
 28 40  1  0
 25 24  1  0
 17 16  1  0
 17 18  1  0
 11 12  1  0
  9 44  1  0
  7 48  1  0
 35 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
 36 85  1  0
 37 86  1  0
 37 87  1  0
 38 88  1  0
 38 89  1  0
 39 90  1  0
 39 91  1  0
 41 92  1  0
 41 93  1  0
 41 94  1  0
 33 79  1  6
 32 77  1  0
 32 78  1  0
 31 75  1  0
 31 76  1  0
 30 72  1  0
 30 73  1  0
 30 74  1  0
 23 69  1  0
 22 68  1  0
 20 67  1  0
 26 70  1  1
 15 66  1  0
 13 65  1  0
 45 95  1  0
 45 96  1  0
 45 97  1  0
 46 98  1  0
 46 99  1  0
 47100  1  0
 47101  1  0
 48102  1  1
  1 49  1  0
  1 50  1  0
  1 51  1  0
  3 52  1  0
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  5 57  1  0
  5 58  1  0
  6 59  1  0
  6 60  1  0
  8 61  1  0
  8 62  1  0
  8 63  1  0
 10 64  1  0
 28 71  1  1
M  END


  Mrv1533004261512452D          

 48 56  0  0  0  0            999 V2000
   -2.2414    2.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    1.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9572    3.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 35 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 31 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 29 46  1  0  0  0  0
 46 47  2  0  0  0  0
 21 47  1  0  0  0  0
 25 47  1  0  0  0  0
 23 48  1  0  0  0  0
  7 48  1  0  0  0  0
 12 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0314797

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCCC2(C)C1CCC1(C)OC3=CC(O)=C(O)C4=C3C(OC3=C(O)C=C5OC6(C)CCC7C(C)(C)CCCC7(C)C6=CC5=C43)C21

> <INCHI_IDENTIFIER>
InChI=1S/C42H54O6/c1-37(2)13-9-15-39(5)27(37)11-17-41(7)29(39)19-22-25(47-41)21-24(44)34-30(22)32-31-26(20-23(43)33(32)45)48-42(8)18-12-28-38(3,4)14-10-16-40(28,6)36(42)35(31)46-34/h19-21,27-28,35-36,43-45H,9-18H2,1-8H3

> <INCHI_KEY>
YHBNZAXDVRIVFN-UHFFFAOYSA-N

> <FORMULA>
C42H54O6

> <MOLECULAR_WEIGHT>
654.888

> <EXACT_MASS>
654.392039459

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
75.86138495046868

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(37),2,4,16,18,33,35-heptaene-18,35,36-triol

> <ALOGPS_LOGP>
8.18

> <JCHEM_LOGP>
9.194178002000001

> <ALOGPS_LOGS>
-6.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.874604228645616

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.955536771289388

> <JCHEM_PKA_STRONGEST_BASIC>
-4.44263964903276

> <JCHEM_POLAR_SURFACE_AREA>
88.38000000000001

> <JCHEM_REFRACTIVITY>
187.97050000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.23e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(37),2,4,16,18,33,35-heptaene-18,35,36-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      -4.184   4.887   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.194   3.173   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.667   9.240   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.002   9.240   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.336  10.010   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.864   7.607   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.853   5.893   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.336   5.390   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4    9                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   48                                             
CONECT    8    7                                                            
CONECT    9    7    2   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   48                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   47                                                  
CONECT   22   21   15   23                                                  
CONECT   23   22   24   48                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   47                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   46                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33   44                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   42                                                  
CONECT   36   35   37   38   39                                             
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   36   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   35   43   44                                             
CONECT   43   42                                                            
CONECT   44   42   31   45                                                  
CONECT   45   44   46                                                       
CONECT   46   45   29   47                                                  
CONECT   47   46   21   25                                                  
CONECT   48   23    7   12                                                  
MASTER        0    0    0    0    0    0    0    0   48    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₅₄O₆

Average Mass

654.8880 Da

Monoisotopic Mass

654.39204 Da

IUPAC Name

6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(37),2,4,16,18,33,35-heptaene-18,35,36-triol

Traditional Name

CAS Registry Number

Not Available

SMILES

CC1(C)CCCC2(C)C1CCC1(C)OC3=CC(O)=C(O)C4=C3C(OC3=C(O)C=C5OC6(C)CCC7C(C)(C)CCCC7(C)C6=CC5=C43)C21

InChI Identifier

InChI=1S/C42H54O6/c1-37(2)13-9-15-39(5)27(37)11-17-41(7)29(39)19-22-25(47-41)21-24(44)34-30(22)32-31-26(20-23(43)33(32)45)48-42(8)18-12-28-38(3,4)14-10-16-40(28,6)36(42)35(31)46-34/h19-21,27-28,35-36,43-45H,9-18H2,1-8H3

InChI Key

YHBNZAXDVRIVFN-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Dibenzopyran
Xanthene
Naphthopyran
Chromane
Benzopyran
2-benzopyran
1-benzopyran
Naphthalene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Pyran
Ether
Organoheterocyclic compound
Oxacycle
Polyol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.18	ALOGPS
logP	9.19	ChemAxon
logS	-6.3	ALOGPS
pKa (Strongest Acidic)	8.96	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	88.38 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	187.97 m³·mol⁻¹	ChemAxon
Polarizability	75.86 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74052417

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol (NP0314797)

MOL for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

3D MOL for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

3D SDF for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

3D-SDF for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

PDB for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

3D PDB for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

SMILES for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

INCHI for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

Structure for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)

3D Structure for NP0314797 (6,10,10,14,23,27,27,31-octamethyl-15,20,32-trioxanonacyclo[19.15.1.0²,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁶,¹¹.0²²,³¹.0²³,²⁸.0³³,³⁷]heptatriaconta-1(36),2(19),3(16),4,17,33(37),34-heptaene-18,35,36-triol)