Androstane-3,17-Diol Glucuronide
[CAS# 27195-25-1]

Identification

• Name: Androstane-3,17-Diol Glucuronide
• Synonyms: [(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Carboxylate; (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxy-2-Tetrahydropyrancarboxylic Acid [(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Carboxylic Acid [(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₅H₄₀O₈
• Molecular Weight: 468.59
• CAS Registry Number: 27195-25-1
• SMILES: [C@H]1(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O[C@@H]2CC[C@]4([C@H](C2)CC[C@H]5[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]45)O)C
• InChI: 1S/C25H40O8/c1-24-9-7-13(32-23(31)21-19(28)18(27)20(29)22(30)33-21)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-22,26-30H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,24-,25-/m0/s1
• InChIKey: TWDCYBTXSUNASK-WGGIPMEBSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 613.062°C at 760 mmHg (Cal.)
• Flash point: 202.107°C (Cal.)