(3S,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5-Ethyl-6-Methylhepta-3,6-Dien-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 119386-11-7]

Identification

• Name: (3S,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5-Ethyl-6-Methylhepta-3,6-Dien-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,9S,10R,13R,14R,17R)-17-[(1R,2E,4R)-4-Ethyl-1,5-Dimethyl-Hexa-2,5-Dienyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,9S,10R,13R,14R,17R)-17-[(1R,2E,4R)-4-Ethyl-1,5-Dimethylhexa-2,5-Dienyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5-Ethyl-6-Methyl-Hepta-3,6-Dien-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₉H₄₄O
• Molecular Weight: 408.67
• CAS Registry Number: 119386-11-7
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](\C=C\[C@H](C(=C)C)CC)C)(CC[C@H]3C2=CC=C4[C@@]3(CC[C@H](O)C4)C)C
• InChI: 1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,20-21,23,25-27,30H,2,7,12-18H2,1,3-6H3/b9-8+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1
• InChIKey: ZQGUFZGRZKDSPC-CIFIHVIMSA-N

Properties

• Density: 1.01g/cm³ (Cal.)
• Boiling point: 518.307°C at 760 mmHg (Cal.)
• Flash point: 222.843°C (Cal.)