(8S,9S,10S,13R,14S,17R)-1,3,5-Trihydroxy-10,13-Dimethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-6-One
[CAS# 138777-11-4]

Identification

• Name: (8S,9S,10S,13R,14S,17R)-1,3,5-Trihydroxy-10,13-Dimethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-6-One
• Synonyms: (8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-1,3,5-Trihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-6-One; (8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethyl-4-Methylenehexyl]-1,3,5-Trihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-6-One; (8S,9S,10S,13R,14S,17R)-1,3,5-Trihydroxy-17-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₈H₄₆O₄
• Molecular Weight: 446.67
• CAS Registry Number: 138777-11-4
• SMILES: [C@@H]23CC(C1(CC(CC([C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCC(C(C)C)=C)C)C)C)O)O)O)=O
• InChI: 1S/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19?,20+,21-,22+,23+,24?,26-,27+,28?/m1/s1
• InChIKey: RQXFIFSIGRFXOD-UDSYFKESSA-N