Pregnane-3,6,17-Triol Triacetate
[CAS# 113846-07-4]

Identification

• Name: Pregnane-3,6,17-Triol Triacetate
• Synonyms: [(3S,5R,6S,8R,9S,10R,13S,14S,17R)-3,6-Diacetoxy-17-Acetyl-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,5R,6S,8R,9S,10R,13S,14S,17R)-3,6-Diacetoxy-17-Acetyl-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,5R,6S,8R,9S,10R,13S,14S,17R)-3,6-Diacetyloxy-17-Ethanoyl-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₇H₄₀O₇
• Molecular Weight: 476.61
• CAS Registry Number: 113846-07-4
• SMILES: [C@H]23[C@H]1[C@@]([C@](OC(=O)C)(CC1)C(=O)C)(CC[C@@H]2[C@@]4([C@H]([C@@H](OC(=O)C)C3)C[C@@H](OC(=O)C)CC4)C)C
• InChI: 1S/C27H40O7/c1-15(28)27(34-18(4)31)12-9-22-20-14-24(33-17(3)30)23-13-19(32-16(2)29)7-10-25(23,5)21(20)8-11-26(22,27)6/h19-24H,7-14H2,1-6H3/t19-,20+,21-,22-,23-,24-,25+,26-,27-/m0/s1
• InChIKey: CTHSOFYMWQMUQJ-KLZDTNLLSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 530.983°C at 760 mmHg (Cal.)
• Flash point: 223.543°C (Cal.)