[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-7-Oxo-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Yl] (E)-Octadec-9-Enoate
[CAS# 145889-56-1]

Identification

• Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-7-Oxo-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Yl] (E)-Octadec-9-Enoate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-7-Oxo-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-7-Oxo-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-7-Keto-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₄₅H₇₆O₃
• Molecular Weight: 665.09
• CAS Registry Number: 145889-56-1
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4(C(=CC3=O)C[C@@H](OC(=O)CCCCCCC\C=C\CCCCCCCC)CC4)C)C
• InChI: 1S/C45H76O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(47)48-37-28-30-44(5)36(32-37)33-41(46)43-39-27-26-38(35(4)24-22-23-34(2)3)45(39,6)31-29-40(43)44/h14-15,33-35,37-40,43H,7-13,16-32H2,1-6H3/b15-14+/t35-,37+,38-,39+,40+,43+,44+,45-/m1/s1
• InChIKey: ISBJKIMEDSBZAJ-WIIUZAFWSA-N

Properties

• Density: 0.983g/cm³ (Cal.)
• Boiling point: 701.459°C at 760 mmHg (Cal.)
• Flash point: 276.015°C (Cal.)