(3S,5Z,7E,14xi,22E)-9,10-Secoergosta-5,7,10,22-Tetraen-3-Yl Acetate
[CAS# 2579-08-0]

Identification

• Name: (3S,5Z,7E,14xi,22E)-9,10-Secoergosta-5,7,10,22-Tetraen-3-Yl Acetate
• Synonyms: (1S,3Z)-3-{2-[(1R,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexyl acetate; (S)-Acetic acid - 4-methylene-3-{2-[7R-methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene}-cyclohexyl ester; (S)-Acetic acid 4-methylene-3-{2-[7R-methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-; octahydro-inden-4-ylidene]-ethylidene}-cyclohexyl ester
• Molecular Formula: C₃₀H₄₆O₂
• Molecular Weight: 438.68
• CAS Registry Number: 2579-08-0
• SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OC(=O)C)C
• InChI: 1S/C30H46O2/c1-20(2)21(3)10-11-23(5)28-16-17-29-25(9-8-18-30(28,29)7)13-14-26-19-27(32-24(6)31)15-12-22(26)4/h10-11,13-14,20-21,23,27-29H,4,8-9,12,15-19H2,1-3,5-7H3/b11-10+,25-13+,26-14-/t21-,23+,27-,28+,29?,30+/m0/s1
• InChIKey: GZYBASLBGWILGA-ZOHHPZCSSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 515.9±39.0°C at 760 mmHg (Cal.)
• Flash point: 262.9±14.6°C (Cal.)
• Refractive index: 1.521 (Cal.)