psi-Taraxasterol Acetate
[CAS# 4586-65-6]

Identification

• Name: psi-Taraxasterol Acetate
• Synonyms: Acetic Acid [(3S,6Ar,6Ar,6Br,8As,12S,12Ar,14Ar,14Br)-4,4,6A,6B,8A,11,12,14B-Octamethyl-2,3,4A,5,6,6A,7,8,9,12,12A,13,14,14A-Tetradecahydro-1H-Picen-3-Yl] Ester; [(3S,6Ar,6Ar,6Br,8As,12S,12Ar,14Ar,14Br)-4,4,6A,6B,8A,11,12,14B-Octamethyl-2,3,4A,5,6,6A,7,8,9,12,12A,13,14,14A-Tetradecahydro-1H-Picen-3-Yl] Ethanoate; Psi-Taraxasterol Acetate
• Molecular Formula: C₃₂H₅₂O₂
• Molecular Weight: 468.76
• CAS Registry Number: 4586-65-6
• SMILES: [C@@]34([C@]2([C@@H]([C@@]1(C(C([C@@H](OC(=O)C)CC1)(C)C)CC2)C)CC[C@@H]3[C@@H]5[C@@](CC4)(CC=C([C@H]5C)C)C)C)C
• InChI: 1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3/t21-,23-,24?,25-,26+,27-,29-,30+,31-,32-/m1/s1
• InChIKey: DYTVUYVLJDSMFA-SFCKFDFDSA-N

Properties

• Density: 1.02g/cm³ (Cal.)
• Boiling point: 502.403°C at 760 mmHg (Cal.)
• Flash point: 254.524°C (Cal.)