[(3S,5R,8R,9S,10R,12S,13R,14S,17R)-17-[(3R,5R)-3,5-Dihydroxy-7-Oxoheptyl]-3-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-3H-Cyclopenta[a]Phenanthren-12-Yl] 2-Methylbutanoate
[CAS# 159014-70-7]

Identification

• Name: [(3S,5R,8R,9S,10R,12S,13R,14S,17R)-17-[(3R,5R)-3,5-Dihydroxy-7-Oxoheptyl]-3-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-3H-Cyclopenta[a]Phenanthren-12-Yl] 2-Methylbutanoate
• Synonyms: [(3S,5R,8R,9S,10R,12S,13R,14S,17R)-17-[(3R,5R)-3,5-Dihydroxy-7-Oxo-Heptyl]-3-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-12-Yl] 2-Methylbutanoate; 2-Methylbutanoic Acid [(3S,5R,8R,9S,10R,12S,13R,14S,17R)-17-[(3R,5R)-3,5-Dihydroxy-7-Oxoheptyl]-3-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-12-Yl] Ester; 2-Methylbutyric Acid [(3S,5R,8R,9S,10R,12S,13R,14S,17R)-17-[(3R,5R)-3,5-Dihydroxy-7-Keto-Heptyl]-3-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₃₁H₅₀O₆
• Molecular Weight: 518.73
• CAS Registry Number: 159014-70-7
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@H](O)C=C2)C)C[C@H](OC(=O)C(CC)C)[C@]4([C@H]3CC[C@@H]4CC[C@@H](O)C[C@@H](O)CC=O)C
• InChI: 1S/C31H50O6/c1-5-19(2)29(36)37-28-18-27-25(10-7-21-16-23(34)12-14-30(21,27)3)26-11-8-20(31(26,28)4)6-9-22(33)17-24(35)13-15-32/h12,14-15,19-28,33-35H,5-11,13,16-18H2,1-4H3/t19?,20-,21+,22+,23+,24-,25-,26-,27-,28-,30-,31+/m0/s1
• InChIKey: WUCBKSXKBHLVNA-UOHNEXSCSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 646.56°C at 760 mmHg (Cal.)
• Flash point: 201.107°C (Cal.)