(3S,5R,9R,10R,13R,17R)-17-[(2S,3R)-3,6-Dihydroxy-6-Methylheptan-2-Yl]-3,14-Dihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-6-One
[CAS# 31575-91-4]

Identification

• Name: (3S,5R,9R,10R,13R,17R)-17-[(2S,3R)-3,6-Dihydroxy-6-Methylheptan-2-Yl]-3,14-Dihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-6-One
• Synonyms: (3S,5R,9R,10R,13R,17R)-17-[(1S,2R)-2,5-Dihydroxy-1,5-Dimethyl-Hexyl]-3,14-Dihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (3S,5R,9R,10R,13R,17R)-17-[(1S,2R)-2,5-Dihydroxy-1,5-Dimethylhexyl]-3,14-Dihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (3S,5R,9R,10R,13R,17R)-17-[(2S,3R)-3,6-Dihydroxy-6-Methyl-Heptan-2-Yl]-3,14-Dihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 31575-91-4
• SMILES: [C@H]14C(=CC(=O)[C@H]2[C@@]1(CC[C@H](O)C2)C)C3(O)[C@@]([C@H](CC3)[C@@H]([C@H](O)CCC(O)(C)C)C)(CC4)C
• InChI: 1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,25+,26+,27?/m0/s1
• InChIKey: CRAPXAGGASWTPU-ZHLVBMIQSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 614.506°C at 760 mmHg (Cal.)
• Flash point: 339.46°C (Cal.)