(3S,5S,9R,10S,13R)-3-Hydroxy-17-[(2R)-5-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# 120171-12-2]

Identification

• Name: (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(2R)-5-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: (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(1R)-4-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; (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(1R)-4-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(2R)-5-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: 120171-12-2
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@](C(CC2=O)[C@@H](CCC(O)C(C)C)C)(CC3)C)C[C@@H](O)CC4)C
• InChI: 1S/C27H44O3/c1-16(2)23(29)9-6-17(3)22-15-24(30)25-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h16-19,21-23,28-29H,6-15H2,1-5H3/t17-,18+,19+,21+,22?,23?,26+,27-/m1/s1
• InChIKey: JHMBRHJGBMZVML-CJFOSOAPSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 549.588°C at 760 mmHg (Cal.)
• Flash point: 300.242°C (Cal.)