[(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (9E,12E)-Octadeca-9,12-Dienoate
[CAS# 138349-20-9]

Identification

• Name: [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (9E,12E)-Octadeca-9,12-Dienoate
• Synonyms: [(3S,9R,10S,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (9E,12E)-Octadeca-9,12-Dienoate; (9E,12E)-Octadeca-9,12-Dienoic Acid [(3S,9R,10S,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Ergosta-7,22-Dien-3-Ol, 9,12-Octadecadienoate, (3Beta(9Z,12Z),22E)-
• Molecular Formula: C₄₆H₇₆O₂
• Molecular Weight: 661.11
• CAS Registry Number: 138349-20-9
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](\C=C\[C@@H](C(C)C)C)C)(CC[C@H]3C2=CCC4[C@@]3(CC[C@H](OC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C4)C)C
• InChI: 1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,24-25,27,35-39,41-43H,8-11,14,17-23,26,28-34H2,1-7H3/b13-12+,16-15+,25-24+/t36-,37+,38?,39-,41+,42-,43-,45-,46+/m0/s1
• InChIKey: UOJOULYYDYIENL-SKWXZYQGSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 683.586°C at 760 mmHg (Cal.)
• Flash point: 367.966°C (Cal.)