NP-MRD: Showing NP-Card for 10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one (NP0279255)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-09 04:34:49 UTC

Updated at

2022-09-09 04:34:49 UTC

NP-MRD ID

NP0279255

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one

Description

10-Hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]Hentriaconta-1(17),18(30),19(27),28-tetraen-26-one belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on 10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]Hentriaconta-1(17),18(30),19(27),28-tetraen-26-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092206342D          

 44 51  0  0  0  0            999 V2000
   -8.0814   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2631   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1580   -2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3682   -0.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4448   -1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1267   -0.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084   -0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903    0.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4901   -0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1264   -2.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6262   -2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079   -2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4898   -1.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -2.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9900   -1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8536   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3534   -0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0459   -2.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -3.0765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336   -3.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334   -3.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848   -3.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030   -2.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1028   -2.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155   -2.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4209   -1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2392   -1.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7394   -2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4212   -2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214   -3.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179   -1.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -0.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086   -0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531    0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -2.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9446   -2.1563    0.0000 O   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
  2  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
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 21 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 22 42  1  0  0  0  0
 19 42  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  0  0  0  0
 11 44  1  0  0  0  0
  5 44  1  0  0  0  0
M  END

     RDKit          3D

 97104  0  0  0  0  0  0  0  0999 V2000
   -7.0667    2.0685   -1.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5517    0.9471   -2.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7124    0.0717   -2.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0729    1.5463   -3.6980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4534    0.1527   -1.8388 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0266   -0.6245   -0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0332   -0.9578    0.3847 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8093   -1.1654    1.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1506    0.2005    0.6333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0391    1.3519    1.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966    0.5926   -0.6683 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6550   -0.5576   -1.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.8557   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9812   -0.9227    1.2898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4608   -2.3504    1.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.0334    1.6528 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6009    1.4081    2.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    1.6765    1.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429    0.5995    2.3503 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1336    0.7287    1.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296   -0.6191    1.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673   -1.4680    1.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7317   -2.6653    0.9648 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9934   -2.5928    0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -3.5691   -0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0360   -3.2313   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5421   -1.9536   -0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295   -0.9898    0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654   -1.3088    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    0.4155    0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2609    0.6636   -0.6765 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4255   -0.3329   -0.5046 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8797   -1.6135   -0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5362   -2.3788   -1.6675 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4058    0.3251   -1.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2355   -0.1246   -2.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8503    0.0845   -1.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    1.6928   -1.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0186    1.9295   -0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4547    2.3117    0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    3.0823   -1.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7556   -0.7498    2.1404 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0540   -1.4247    3.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4452    1.0099   -1.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2901    2.8148   -1.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8409    2.5985   -2.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5980    1.6993   -0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5749    0.7489   -3.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4828   -0.4225   -3.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0303   -0.6224   -2.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7462    1.4980   -4.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0699   -0.5532   -2.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9522   -0.1820   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3988   -1.6007   -1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5565   -1.8888    0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9111   -2.1312    1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8735    1.5322    2.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1254    1.0801    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9324    2.2545    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8203    1.4459   -0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229   -1.4571   -1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1533   -0.2282   -2.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188   -0.1616   -0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546   -1.8754   -0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -2.9301    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887   -2.9547    0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084   -2.3694    2.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759   -0.4063    2.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521    1.6516    3.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1305    2.2277    1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9164    2.6087    2.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501    1.9423    0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0953    0.7811    3.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9114    1.0451    2.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1558    1.5204    0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -3.5314    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874   -4.5764   -0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6744   -3.9769   -1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    0.5619    1.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3457    1.0654    0.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219    0.5409   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7254   -0.3183    0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8325   -1.0103   -3.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631   -0.3946   -3.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417    0.7011   -3.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1180    0.5429   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0770   -1.0014   -0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4732    0.5239   -1.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8714    3.2120    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5275    2.6215    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3601    1.4782    1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1879    2.8011   -2.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9973    3.9574   -1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252    3.3130   -0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210   -2.3209    3.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7057   -0.7277    4.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195   -1.5634    3.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 33  1  0
 33 34  2  0
 33 32  1  0
 32 31  1  0
 31 30  1  0
 30 28  1  0
 28 29  2  0
 31 39  1  0
 39 40  1  0
 39 41  1  0
 39 38  1  0
 38 35  1  0
 35 36  1  0
 35 37  1  0
 22 42  1  0
 42 43  1  1
 11 44  1  0
 44  5  1  0
 16  9  1  0
 42 19  1  0
 42 14  1  0
 29 21  1  0
 29 24  1  0
 28 27  1  0
 35 32  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
  3 49  1  0
  3 50  1  0
  4 51  1  0
  5 52  1  6
  6 53  1  0
  6 54  1  0
  7 55  1  6
  8 56  1  0
 10 57  1  0
 10 58  1  0
 10 59  1  0
 11 60  1  1
 12 61  1  0
 12 62  1  0
 13 63  1  0
 13 64  1  0
 15 65  1  0
 15 66  1  0
 15 67  1  0
 16 68  1  1
 17 69  1  0
 17 70  1  0
 18 71  1  0
 18 72  1  0
 19 73  1  1
 20 74  1  0
 20 75  1  0
 23 76  1  0
 25 77  1  0
 26 78  1  0
 32 82  1  1
 31 81  1  6
 30 79  1  0
 30 80  1  0
 40 89  1  0
 40 90  1  0
 40 91  1  0
 41 92  1  0
 41 93  1  0
 41 94  1  0
 36 83  1  0
 36 84  1  0
 36 85  1  0
 37 86  1  0
 37 87  1  0
 37 88  1  0
 43 95  1  0
 43 96  1  0
 43 97  1  0
M  END


  Mrv1652309092206342D          

 44 51  0  0  0  0            999 V2000
   -8.0814   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2631   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1580   -2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3682   -0.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4448   -1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1267   -0.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084   -0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903    0.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4901   -0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1264   -2.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6262   -2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079   -2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4898   -1.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -2.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9900   -1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8536   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3534   -0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0459   -2.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -3.0765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336   -3.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334   -3.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848   -3.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030   -2.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1028   -2.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155   -2.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4209   -1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2392   -1.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7394   -2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4212   -2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214   -3.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179   -1.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -0.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086   -0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531    0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -2.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9446   -2.1563    0.0000 O   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
  2  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
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 21 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 22 42  1  0  0  0  0
 19 42  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  0  0  0  0
 11 44  1  0  0  0  0
  5 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0279255

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)(O)C1CC(O)C2(C)C(CCC3(C)C2CCC2CC4=C(NC5=CC=C6C(=O)C7C(CC6=C45)C(C)(C)OC7(C)C)C32C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C38H53NO5/c1-33(2,42)28-18-26(40)37(8)25-13-10-19-16-22-29-21-17-23-30(35(5,6)44-34(23,3)4)31(41)20(21)11-12-24(29)39-32(22)38(19,9)36(25,7)15-14-27(37)43-28/h11-12,19,23,25-28,30,39-40,42H,10,13-18H2,1-9H3

> <INCHI_KEY>
LUBQWHCYCGWUJS-UHFFFAOYSA-N

> <FORMULA>
C38H53NO5

> <MOLECULAR_WEIGHT>
603.844

> <EXACT_MASS>
603.392373811

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
72.31660466088474

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0^{2,15}.0^{3,12}.0^{6,11}.0^{18,30}.0^{19,27}.0^{21,25}]hentriaconta-1(17),18,27,29-tetraen-26-one

> <JCHEM_LOGP>
5.386712208666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.448975843058847

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.959641248311325

> <JCHEM_PKA_STRONGEST_BASIC>
-3.002719029207401

> <JCHEM_POLAR_SURFACE_AREA>
91.78

> <JCHEM_REFRACTIVITY>
172.12070000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0^{2,15}.0^{3,12}.0^{6,11}.0^{18,30}.0^{19,27}.0^{21,25}]hentriaconta-1(17),18,27,29-tetraen-26-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0     -15.085  -3.193   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -13.558  -2.996   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -13.362  -4.524   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0     -13.754  -1.469   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0     -12.030  -2.800   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -11.436  -1.379   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.909  -1.183   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -9.315   0.238   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -8.975  -2.408   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.382  -0.987   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -9.569  -3.829   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.636  -5.054   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -7.108  -4.857   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.514  -3.436   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.581  -4.661   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.448  -2.212   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.854  -0.791   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.327  -0.595   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.393  -1.819   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.858  -1.945   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.503  -3.444   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.819  -4.244   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      -3.464  -5.743   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      -1.929  -5.868   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.996  -7.093   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.532  -6.897   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.126  -5.476   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.192  -4.251   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.336  -4.448   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.786  -2.830   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.313  -2.634   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.247  -3.859   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.653  -5.280   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.587  -6.505   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.700  -3.350   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.055  -4.848   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.228  -3.153   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.665  -1.810   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       3.189  -1.368   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.459   0.148   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.032  -0.352   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -4.987  -3.240   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -4.951  -4.780   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0     -11.097  -4.025   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2    6   44                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   16                                             
CONECT   10    9                                                            
CONECT   11    9   12   44                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   42                                             
CONECT   15   14                                                            
CONECT   16   14    9   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   42                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   29                                                  
CONECT   22   21   23   42                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   33                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28   21   24                                                  
CONECT   30   28   31                                                       
CONECT   31   30   32   39                                                  
CONECT   32   31   33   35                                                  
CONECT   33   32   27   34                                                  
CONECT   34   33                                                            
CONECT   35   32   36   37   38                                             
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   35   39                                                       
CONECT   39   38   31   40   41                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   22   19   14   43                                             
CONECT   43   42                                                            
CONECT   44   11    5                                                       
MASTER        0    0    0    0    0    0    0    0   44    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₃NO₅

Average Mass

603.8440 Da

Monoisotopic Mass

603.39237 Da

IUPAC Name

10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0^{2,15}.0^{3,12}.0^{6,11}.0^{18,30}.0^{19,27}.0^{21,25}]hentriaconta-1(17),18,27,29-tetraen-26-one

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(C)(O)C1CC(O)C2(C)C(CCC3(C)C2CCC2CC4=C(NC5=CC=C6C(=O)C7C(CC6=C45)C(C)(C)OC7(C)C)C32C)O1

InChI Identifier

InChI=1S/C38H53NO5/c1-33(2,42)28-18-26(40)37(8)25-13-10-19-16-22-29-21-17-23-30(35(5,6)44-34(23,3)4)31(41)20(21)11-12-24(29)39-32(22)38(19,9)36(25,7)15-14-27(37)43-28/h11-12,19,23,25-28,30,39-40,42H,10,13-18H2,1-9H3

InChI Key

LUBQWHCYCGWUJS-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 naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Naphthofuran
Naphthalene
Tetralin
3-alkylindole
Indole
Indole or derivatives
Aryl ketone
Aryl alkyl ketone
Benzenoid
Pyran
Oxane
Tertiary alcohol
Pyrrole
Oxolane
Heteroaromatic compound
Secondary alcohol
Ketone
Azacycle
Oxacycle
Dialkyl ether
Ether
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
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	5.39	ChemAxon
pKa (Strongest Acidic)	13.96	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	91.78 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	172.12 m³·mol⁻¹	ChemAxon
Polarizability	72.32 Å³	ChemAxon
Number of Rings	8	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

73039549

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one (NP0279255)

MOL for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

3D MOL for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

3D SDF for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

3D-SDF for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

PDB for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

3D PDB for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

SMILES for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

INCHI for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

Structure for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)

3D Structure for NP0279255 (10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0¹⁹,²⁷.0²¹,²⁵]hentriaconta-1(17),18,27,29-tetraen-26-one)