NP-MRD: Showing NP-Card for (1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate (NP0303119)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-10 17:11:50 UTC

Updated at

2022-09-10 17:11:50 UTC

NP-MRD ID

NP0303119

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate

Description

[(1'R,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,15'R,16'R,18'S,19'R)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]Icosane]-5-yl]methyl acetate belongs to the class of organic compounds known as furospirostanes and derivatives. These are heterocyclic steroids containing a furospirostane moiety, which a skeleton characterized by the presence of a 1,6-dioxaspiro[4.4]Nonane ring system and an androstane moiety. Based on a literature review very few articles have been published on [(1'R,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,15'R,16'R,18'S,19'R)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]Icosane]-5-yl]methyl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102219112D          

 45 50  0  0  1  0            999 V2000
    2.9442   -5.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121   -4.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565   -3.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355   -4.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3268   -3.4689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2911   -4.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1904   -2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9221   -2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5107   -2.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8786   -2.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6946   -2.2354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4262   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148   -2.4323    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8383   -2.3816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2062   -1.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0296   -1.5926    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3975   -0.8541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2209   -0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5888   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6765   -1.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4852   -2.2804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3086   -2.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7642   -2.9176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5876   -2.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9555   -2.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4999   -1.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7789   -2.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3963   -3.6560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8519   -4.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6753   -4.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0432   -3.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1309   -4.9810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5729   -3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173   -3.0188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7494   -3.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2938   -3.0694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9260   -3.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1025   -3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6470   -3.1707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2039   -3.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8310   -3.0490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0993   -3.4302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9776   -4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428   -3.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 15 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 14 40  1  0  0  0  0
 40 41  1  1  0  0  0
 42 40  1  1  0  0  0
 12 42  1  0  0  0  0
 42 43  1  0  0  0  0
 10 43  1  0  0  0  0
 43 44  1  6  0  0  0
 10 45  1  0  0  0  0
  6 45  1  0  0  0  0
M  END

     RDKit          3D

 97102  0  0  0  0  0  0  0  0999 V2000
    8.1688    0.4992    3.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2943    0.9739    2.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0898    0.6584    2.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7354    1.7012    1.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646    2.2021   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260    1.1295   -0.9562 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7085    0.3257   -1.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368    1.6842   -2.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6911    0.6723   -2.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    0.4790   -0.8482 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6609    1.5705   -0.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4886    1.2124    0.1131 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3024    1.2238   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714    0.4304   -0.0704 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9216    0.0203   -0.6101 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6648    1.0883   -1.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0060    0.4816   -1.7953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7807   -0.6833   -2.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -0.8641   -3.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9056   -2.1416   -4.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8532    0.0222   -4.4247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422    0.2276   -0.5144 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2107    0.0380   -0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8337    0.3042    0.6965 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0665   -0.3725    0.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2574    0.3173    1.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5721   -0.3619    1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2078    1.5714    1.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8906    0.0157    1.8411 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2627    1.1779    2.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4851    1.6163    3.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8415    2.8445    4.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2763    0.9504    4.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8955   -1.0773    1.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0933   -0.8762    0.2959 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1024   -2.1895   -0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843   -0.5181    0.5903 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9395   -1.6324    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205   -1.4355    1.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852   -0.8372    0.2277 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1167   -1.8212   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -0.2780    0.4425 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5283   -0.7473   -0.6318 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3683   -1.8874   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6261    0.3484   -0.3092 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9258   -0.5844    3.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2408    0.5030    2.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0706    1.1117    4.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6594    2.9661   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1923    2.8117    0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652   -0.4695   -2.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350    1.0678   -2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3185   -0.0985   -0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    2.6879   -1.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842    1.7022   -3.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810    1.1820   -2.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0572   -0.2469   -2.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1628    1.8078    0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5964    0.7001   -1.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741    2.2697   -1.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2492    0.9212    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450   -0.8530   -1.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193    1.3088   -2.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666    1.9499   -0.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796    1.2093   -2.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3824   -3.0177   -4.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8040   -2.3680   -4.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -2.1587   -5.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981    1.1639    0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8166   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5206   -0.9281   -1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385    1.4069    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1751    0.2742    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4288   -1.3890    1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0840   -0.3399    0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5262   -0.3854    2.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    3.2226    5.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8957    3.6561    3.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    2.6861    4.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2938   -1.2085    2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5070   -2.0260    1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837   -2.3610   -1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246   -2.3112   -1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423   -3.0077    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    0.3365    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663   -1.8200    2.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -2.6020    0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9846   -2.4363    1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -0.8544    2.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291   -2.5038   -0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0421   -1.3753   -1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969   -2.5152   -0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637   -0.4601    1.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121   -0.9461   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188   -2.3797    0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3626   -1.5084    0.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182   -2.6708   -0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
 44 43  1  0
 43 42  1  0
 42 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 17 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 24 29  1  0
 29 34  1  0
 34 35  1  0
 35 36  1  6
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 12 11  1  0
 10 11  1  1
 10  9  1  0
  9  8  1  0
  8  6  1  0
  6  7  1  6
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  6 45  1  0
 10 43  1  0
 45 10  1  0
 40 42  1  0
 40 14  1  0
 37 15  1  0
 35 22  1  0
 44 95  1  0
 44 96  1  0
 44 97  1  0
 43 94  1  6
 42 93  1  1
 12 58  1  1
 13 59  1  0
 13 60  1  0
 14 61  1  1
 15 62  1  6
 16 63  1  0
 16 64  1  0
 17 65  1  6
 20 66  1  0
 20 67  1  0
 20 68  1  0
 22 69  1  1
 23 70  1  0
 23 71  1  0
 24 72  1  6
 27 73  1  0
 27 74  1  0
 27 75  1  0
 29 76  1  1
 34 80  1  0
 34 81  1  0
 36 82  1  0
 36 83  1  0
 36 84  1  0
 37 85  1  1
 38 86  1  0
 38 87  1  0
 39 88  1  0
 39 89  1  0
 41 90  1  0
 41 91  1  0
 41 92  1  0
 32 77  1  0
 32 78  1  0
 32 79  1  0
  9 56  1  0
  9 57  1  0
  8 54  1  0
  8 55  1  0
  7 51  1  0
  7 52  1  0
  7 53  1  0
  5 49  1  0
  5 50  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
M  END


  Mrv1652309102219112D          

 45 50  0  0  1  0            999 V2000
    2.9442   -5.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121   -4.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565   -3.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355   -4.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3268   -3.4689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2911   -4.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1904   -2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9221   -2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5107   -2.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8786   -2.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6946   -2.2354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4262   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148   -2.4323    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8383   -2.3816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2062   -1.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0296   -1.5926    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3975   -0.8541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2209   -0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5888   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6765   -1.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4852   -2.2804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3086   -2.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7642   -2.9176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5876   -2.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9555   -2.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4999   -1.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7789   -2.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3963   -3.6560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8519   -4.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6753   -4.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0432   -3.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1309   -4.9810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5729   -3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173   -3.0188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7494   -3.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2938   -3.0694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9260   -3.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1025   -3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6470   -3.1707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2039   -3.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8310   -3.0490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0993   -3.4302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9776   -4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428   -3.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 15 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 14 40  1  0  0  0  0
 40 41  1  1  0  0  0
 42 40  1  1  0  0  0
 12 42  1  0  0  0  0
 42 43  1  0  0  0  0
 10 43  1  0  0  0  0
 43 44  1  6  0  0  0
 10 45  1  0  0  0  0
  6 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0303119

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]5C[C@@H](OC(C)=O)[C@@H](C[C@]5(C)[C@H]4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@](C)(COC(C)=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C35H52O10/c1-18-31-29(44-35(18)12-11-32(6,45-35)17-40-19(2)36)14-25-23-13-27(41-20(3)37)26-15-28(42-21(4)38)30(43-22(5)39)16-34(26,8)24(23)9-10-33(25,31)7/h18,23-31H,9-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35-/m0/s1

> <INCHI_KEY>
BEJVBOOFCAJEJN-SVRGIGGVSA-N

> <FORMULA>
C35H52O10

> <MOLECULAR_WEIGHT>
632.791

> <EXACT_MASS>
632.356047874

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
70.4628205813334

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1'R,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,15'R,16'R,18'S,19'R)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-5-yl]methyl acetate

> <JCHEM_LOGP>
3.5544184076666636

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.075211716322245

> <JCHEM_POLAR_SURFACE_AREA>
123.66000000000001

> <JCHEM_REFRACTIVITY>
160.50400000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,15'R,16'R,18'S,19'R)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-5-ylmethyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       5.496  -9.421   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.183  -8.043   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.332  -6.759   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       7.720  -7.948   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.406  -6.570   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.943  -6.475   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.877  -8.014   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.689  -4.956   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.055  -4.245   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.153  -5.324   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      12.840  -3.946   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      14.363  -4.173   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.729  -3.461   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.828  -4.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.365  -4.446   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.051  -3.067   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.589  -2.973   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      21.275  -1.594   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      22.812  -1.500   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.499  -0.121   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      23.663  -2.784   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      21.439  -4.257   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      22.976  -4.162   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      23.826  -5.446   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      25.364  -5.352   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      26.050  -3.973   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      25.200  -2.689   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      27.587  -3.879   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      23.140  -6.825   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      23.990  -8.108   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      25.527  -8.014   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      26.214  -6.636   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      26.378  -9.298   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      21.603  -6.919   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      20.752  -5.635   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      20.066  -7.014   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      19.215  -5.730   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      18.528  -7.108   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      16.991  -7.203   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      16.141  -5.919   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      15.314  -7.218   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      14.618  -5.691   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.252  -6.403   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.025  -7.926   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      11.467  -6.702   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   45                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   43   45                                             
CONECT   11   10   12                                                       
CONECT   12   11   13   42                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   40                                                  
CONECT   15   14   16   37                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   17   23   35                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   29   35                                                       
CONECT   35   34   22   36   37                                             
CONECT   36   35                                                            
CONECT   37   35   15   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   14   41   42                                             
CONECT   41   40                                                            
CONECT   42   40   12   43                                                  
CONECT   43   42   10   44                                                  
CONECT   44   43                                                            
CONECT   45   10    6                                                       
MASTER        0    0    0    0    0    0    0    0   45    0  100    0
END

View in JSmol

Synonyms

Value	Source
[(1'r,2S,2's,4's,5S,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-Tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0,.0,.0,]icosane]-5-yl]methyl acetic acid	Generator

Chemical Formula

C₃₅H₅₂O₁₀

Average Mass

632.7910 Da

Monoisotopic Mass

632.35605 Da

IUPAC Name

Traditional Name

(1'R,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,15'R,16'R,18'S,19'R)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-5-ylmethyl acetate

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]5C[C@@H](OC(C)=O)[C@@H](C[C@]5(C)[C@H]4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@](C)(COC(C)=O)O1

InChI Identifier

InChI=1S/C35H52O10/c1-18-31-29(44-35(18)12-11-32(6,45-35)17-40-19(2)36)14-25-23-13-27(41-20(3)37)26-15-28(42-21(4)38)30(43-22(5)39)16-34(26,8)24(23)9-10-33(25,31)7/h18,23-31H,9-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35-/m0/s1

InChI Key

BEJVBOOFCAJEJN-SVRGIGGVSA-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 furospirostanes and derivatives. These are heterocyclic steroids containing a furospirostane moiety, which a skeleton characterized by the presence of a 1,6-dioxaspiro[4.4]Nonane ring system and an androstane moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Furospirostanes and derivatives

Direct Parent

Furospirostanes and derivatives

Alternative Parents

Substituents

Furospirostane-skeleton
Triterpenoid
Spirostane skeleton
Steroid ester
Tetracarboxylic acid or derivatives
Ketal
Tetrahydrofuran
Carboxylic acid ester
Oxacycle
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	3.55	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	123.66 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	160.5 m³·mol⁻¹	ChemAxon
Polarizability	70.46 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

162848785

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate (NP0303119)

MOL for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

3D MOL for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

3D SDF for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

3D-SDF for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

PDB for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

3D PDB for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

SMILES for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

INCHI for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

Structure for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)

3D Structure for NP0303119 ((1'r,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-15',16',19'-tris(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-5-ylmethyl acetate)