| PDB CCD ID: | 90L |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C29 H48 O4 |
| InChI: | InChI=1S/C29H48O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h9,11-12,18,20,23-27,30-33H,5-8,10,13-17,19H2,1-4H3/b12-11+/t20-,23+,24-,25-,26-,27-,29-/m1/s1 |
| InChIKey: | FSKKMLBYNCANGG-LIDHDOQTSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2C(=CCC[C@]12C)\C=C\C3=C[C@@H](O)[C@H](CCCO)[C@H](O)C3 | | OpenEye OEToolkits 2.0.6 | CC(CCCC(C)(C)O)C1CCC2C1(CCC=C2C=CC3=CC(C(C(C3)O)CCCO)O)C | | OpenEye OEToolkits 2.0.6 | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C | | CACTVS 3.385 | C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CCC[C]12C)C=CC3=C[CH](O)[CH](CCCO)[CH](O)C3 |
|
| Name: | (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol;
(1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl }vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol |
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