(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(2R)-7-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 78094-12-9]

Identification

• Name: (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(2R)-7-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(1R)-6-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(1R)-6-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₇H₄₆O₄
• Molecular Weight: 434.66
• CAS Registry Number: 78094-12-9
• SMILES: [C@@H]4([C@@H](CCCC(CO)C)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@@H]1CC(CC[C@@]1([C@H]2C[C@@H]3O)C)=O)O)CC4)C
• InChI: 1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: UCVRZTRGVBWBPR-SSGCBCEYSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 571.06°C at 760 mmHg (Cal.)
• Flash point: 313.213°C (Cal.)