(1a,3b,6Z)-9,10-Secocholesta-5(10),6,8-triene-1,3-diol diacetate
[CAS# 54712-17-3]

Identification

• Name: (1a,3b,6Z)-9,10-Secocholesta-5(10),6,8-triene-1,3-diol diacetate
• Synonyms: [(1R,5S)-3-[(Z)-2-[(3Ar,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-5-Acetoxy-2-Methyl-1-Cyclohex-2-Enyl] Acetate; Acetic Acid [(1R,5S)-3-[(Z)-2-[(3Ar,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-5-Acetoxy-2-Methyl-1-Cyclohex-2-Enyl] Ester; [(1R,5S)-3-[(Z)-2-[(3Ar,7Ar)-7A-Methyl-1-[(2R)-6-Methylheptan-2-Yl]-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Ethenyl]-5-Acetyloxy-2-Methyl-1-Cyclohex-2-Enyl] Ethanoate
• Molecular Formula: C₃₁H₄₈O₄
• Molecular Weight: 484.72
• CAS Registry Number: 54712-17-3
• SMILES: [C@]13([C@H](C(=CCC1)\C=C/C2=C([C@H](OC(=O)C)C[C@@H](OC(=O)C)C2)C)CCC3[C@@H](CCCC(C)C)C)C
• InChI: 1S/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h12-14,20-21,27-30H,8-11,15-19H2,1-7H3/b14-13-/t21-,27+,28?,29+,30-,31-/m1/s1
• InChIKey: YLYNCPGDKZTDMI-YRKUQGFYSA-N

Properties

• Density: 1.035g/cm³ (Cal.)
• Boiling point: 550.015°C at 760 mmHg (Cal.)
• Flash point: 262.757°C (Cal.)