| 2D Structure | |
| CID | 21603613 |
| Target | / |
| IUPAC Name | (5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C30H48O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(33)27(3,4)34-17-18/h8,18-20,22-23,25,31,33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,25+,28-,29+,30-/m1/s1 |
| InChI Key | YIBXWXOYFGZLRU-VRUJEOEASA-N |
| Canonical SMILES | CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CCC4C5CC(C(C(OC5)(C)C)O)O)C)C)C |
| Isomeric SMILES | C[C@@]12CC[C@H]3C(=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)[C@]1(CC[C@H]2[C@@H]5C[C@H]([C@@H](C(OC5)(C)C)O)O)C |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.7 |
| synonyms | ['Hispidone', '73891-72-2', '(5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one', 'FS-9004', '(13,14,17,20S,23R,24S)-21,25-Epoxy-23,24-dihydroxylanost-7-en-3-one'] |
From Pubchem