Stigmast-5-Ene-3beta,7alpha-Diol Dibenzoate
[CAS# 56698-81-8]

Identification

• Name: Stigmast-5-Ene-3beta,7alpha-Diol Dibenzoate
• Synonyms: [(3S,7S,8S,9S,10R,13R,14S,17R)-3-(Benzoyloxy)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-7-Yl] Benzoate; Benzoic Acid [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-3-(Oxo-Phenylmethoxy)-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-7-Yl] Ester; Benzoic Acid [(3S,7S,8S,9S,10R,13R,14S,17R)-3-(Benzoyloxy)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-7-Yl] Ester
• Molecular Formula: C₄₃H₅₈O₄
• Molecular Weight: 638.93
• CAS Registry Number: 56698-81-8
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CC[C@H](C(C)C)CC)C)(CC[C@@H]2[C@@]6(C(=C[C@H]3OC(=O)C4=CC=CC=C4)C[C@@H](OC(=O)C5=CC=CC=C5)CC6)C)C
• InChI: 1S/C43H58O4/c1-7-30(28(2)3)19-18-29(4)35-20-21-36-39-37(23-25-43(35,36)6)42(5)24-22-34(46-40(44)31-14-10-8-11-15-31)26-33(42)27-38(39)47-41(45)32-16-12-9-13-17-32/h8-17,27-30,34-39H,7,18-26H2,1-6H3/t29-,30-,34+,35-,36+,37+,38-,39+,42+,43-/m1/s1
• InChIKey: FDIZXNOBYCOWMJ-VLUMIAMYSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 682.635°C at 760 mmHg (Cal.)
• Flash point: 331.71°C (Cal.)