(9R,10S,13R)-3-Hydroxy-17-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
[CAS# 120185-34-4]

Identification

• Name: (9R,10S,13R)-3-Hydroxy-17-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
• Synonyms: (9R,10S,13R)-3-Hydroxy-17-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (9R,10S,13R)-3-Hydroxy-17-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (9R,10S,13R)-3-Hydroxy-17-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 120185-34-4
• SMILES: [C@@H]23C(=C1[C@@](C(CC1=O)[C@@H](CCCC(O)(C)C)C)(CC2)C)CCC4[C@@]3(CCC(O)C4)C
• InChI: 1S/C27H44O3/c1-17(7-6-12-25(2,3)30)22-16-23(29)24-20-9-8-18-15-19(28)10-13-26(18,4)21(20)11-14-27(22,24)5/h17-19,21-22,28,30H,6-16H2,1-5H3/t17-,18?,19?,21+,22?,26+,27-/m1/s1
• InChIKey: DXYFRJNQUITWCN-ZYBCSFLZSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 549.588°C at 760 mmHg (Cal.)
• Flash point: 300.242°C (Cal.)