5-alpha-Androstan-17-beta-Ol-3-One Glucosiduronate
[CAS# 42037-24-1]

Identification

• Name: 5-alpha-Androstan-17-beta-Ol-3-One Glucosiduronate
• Synonyms: (2R,3S,4S,5R,6R)-6-[[(10S,13S,17R)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2R,3S,4S,5R,6R)-6-[[(10S,13S,17R)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(10S,13S,17R)-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₅H₃₈O₈
• Molecular Weight: 466.57
• CAS Registry Number: 42037-24-1
• SMILES: [C@H]5(O[C@@H]3CCC4C2CCC1CC(CC[C@@]1(C2CC[C@]34C)C)=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O5)C(=O)O
• InChI: 1S/C25H38O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12?,14?,15?,16?,17-,18+,19+,20-,21-,23-,24+,25+/m1/s1
• InChIKey: CLQMBSSRTBUNDV-HUZVCDFSSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 656.067°C at 760 mmHg (Cal.)
• Flash point: 219.53°C (Cal.)