17-Hydroxyandrostane-3-Glucuronide
[CAS# 65535-18-4]

Identification

• Name: 17-Hydroxyandrostane-3-Glucuronide
• Synonyms: (2R,3S,4R,5R,6R)-3,4,5-Trihydroxy-6-[[(10S,13S,17R)-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]Oxy]Tetrahydropyran-2-Carboxylic Acid; (2R,3S,4R,5R,6R)-3,4,5-Trihydroxy-6-[[(10S,13S,17R)-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]Oxy]-2-Tetrahydropyrancarboxylic Acid; Beta-D-Glucopyranosiduronic Acid, (3Alpha,5Alpha,17Beta)-17-Hydroxyandrostan-3-Yl
• Molecular Formula: C₂₅H₄₀O₈
• Molecular Weight: 468.59
• CAS Registry Number: 65535-18-4
• SMILES: [C@H]5(OC1CC[C@]3(C(C1)CCC4C2CC[C@H]([C@@]2(C)CCC34)O)C)[C@H](O)[C@H](O)[C@H](O)[C@@H](O5)C(=O)O
• InChI: 1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12?,13?,14?,15?,16?,17-,18-,19+,20-,21-,23-,24+,25+/m1/s1
• InChIKey: GYNWSIBKBBWJJW-ZQMNIGHUSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 656.286°C at 760 mmHg (Cal.)
• Flash point: 218.771°C (Cal.)