Methyl (E,6S)-2-Methyl-6-[(9R,10R,13S,14S,17S)-4,4,10,13,14-Pentamethyl-3-Oxo-1,2,5,6,9,11,12,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Hept-2-Enoate
[CAS# 79157-62-3]

Identification

• Name: Methyl (E,6S)-2-Methyl-6-[(9R,10R,13S,14S,17S)-4,4,10,13,14-Pentamethyl-3-Oxo-1,2,5,6,9,11,12,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Hept-2-Enoate
• Synonyms: (E,6S)-2-Methyl-6-[(9R,10R,13S,14S,17S)-4,4,10,13,14-Pentamethyl-3-Oxo-1,2,5,6,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Hept-2-Enoic Acid Methyl Ester; (E,6S)-6-[(9R,10R,13S,14S,17S)-3-Keto-4,4,10,13,14-Pentamethyl-1,2,5,6,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Hept-2-Enoic Acid Methyl Ester; Lanosta-7,24-Dien-26-Oic Acid, 3-Oxo-, Methyl Ester, (13Alpha,14Beta,17Alpha,20S,24E)-
• Molecular Formula: C₃₁H₄₈O₃
• Molecular Weight: 468.72
• CAS Registry Number: 79157-62-3
• SMILES: [C@]12([C@]([C@@H](CC1)[C@H](CC\C=C(C(OC)=O)/C)C)(CC[C@H]3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C
• InChI: 1S/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11+/t20-,22-,23-,25?,29+,30-,31+/m0/s1
• InChIKey: PHFHKTUUXFZBJK-UJDMIJHZSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 537.768°C at 760 mmHg (Cal.)
• Flash point: 223.63°C (Cal.)