20beta-Cortol-3-Glucuronide
[CAS# 85071-10-9]

Identification

• Name: 20beta-Cortol-3-Glucuronide
• Synonyms: (2S,3S,4R,5R,6R)-6-[(10S,11R,13S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-11,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-3,4,5,6-Tetrahydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4R,5R,6R)-6-[(10S,11R,13S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-11,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-3,4,5,6-Tetrahydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4R,5R,6R)-6-[(10S,11R,13S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-11,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-3,4,5,6-Tetrahydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₇H₄₄O₁₁
• Molecular Weight: 544.64
• CAS Registry Number: 85071-10-9
• SMILES: [C@]45(C(C3C([C@@]2(C(CC([C@]1(O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(=O)O)O)CC2)CC3)C)[C@H](O)C4)CC[C@]5(O)[C@@H](O)CO)C
• InChI: 1S/C27H44O11/c1-24-7-5-13(27(37)22(33)20(32)19(31)21(38-27)23(34)35)9-12(24)3-4-14-15-6-8-26(36,17(30)11-28)25(15,2)10-16(29)18(14)24/h12-22,28-33,36-37H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14?,15?,16-,17+,18?,19+,20-,21+,22-,24+,25+,26+,27-/m1/s1
• InChIKey: LUNTZWDPLVTVKX-SMXZYVCMSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 785.443°C at 760 mmHg (Cal.)
• Flash point: 257.711°C (Cal.)