(10S,13R,14R)-17-[(E,2R)-5-Ethyl-6-Methylhept-3-En-2-Yl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-One
[CAS# 121714-76-9]

Identification

• Name: (10S,13R,14R)-17-[(E,2R)-5-Ethyl-6-Methylhept-3-En-2-Yl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-One
• Synonyms: (10S,13R,14R)-17-[(E,1R)-4-Ethyl-1,5-Dimethyl-Hex-2-Enyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-7-One; (10S,13R,14R)-17-[(E,1R)-4-Ethyl-1,5-Dimethylhex-2-Enyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-7-One; (10S,13R,14R)-17-[(E,2R)-5-Ethyl-6-Methyl-Hept-3-En-2-Yl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-7-One
• Molecular Formula: C₂₉H₄₄O₂
• Molecular Weight: 424.67
• CAS Registry Number: 121714-76-9
• SMILES: [C@H]12[C@@](C(CC1)[C@@H](\C=C\C(C(C)C)CC)C)(CCC3=C2C(=O)C=C4[C@@]3(CCC(O)C4)C)C
• InChI: 1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-24,30H,7,10-16H2,1-6H3/b9-8+/t19-,20?,22?,23?,24+,28+,29-/m1/s1
• InChIKey: FETRPHZWIWWTGP-BZVLOXSGSA-N

Properties

• Density: 1.045g/cm³ (Cal.)
• Boiling point: 546.481°C at 760 mmHg (Cal.)
• Flash point: 230.072°C (Cal.)