11beta,18-Epoxy-21-Hydroxy-3,20-Dioxopregn-4-En-18-Yl-beta-D-Glucopyranosiduronic Acid
[CAS# 3604-86-2]

Identification

• Name: 11beta,18-Epoxy-21-Hydroxy-3,20-Dioxopregn-4-En-18-Yl-beta-D-Glucopyranosiduronic Acid
• Synonyms: Aldosterone 18-Glucuronide; Aldosterone-18-D-Glucosiduronic Acid
• Molecular Formula: C₂₇H₃₆O₁₁
• Molecular Weight: 536.57
• CAS Registry Number: 3604-86-2
• SMILES: [C@H]26OC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C5(C(C4C2[C@@]3(C(=CC(=O)CC3)CC4)C)CC[C@@H]5C(=O)CO)C6
• InChI: 1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13?,14?,15-,17-,18?,19+,20+,21-,22+,24+,25?,26+,27?/m1/s1
• InChIKey: OMRIQCUHVVBJKI-ACOLCOCVSA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 807.463°C at 760 mmHg (Cal.)
• Flash point: 269.963°C (Cal.)