Tetrahydroaldosterone 3 beta-Glucosiduronic Acid
[CAS# 20605-81-6]

Identification

• Name: Tetrahydroaldosterone 3 beta-Glucosiduronic Acid
• Synonyms: Ta-Ga; Tetrahydroaldosterone 3Beta-Glucosiduronic Acid; Tetrahydroaldosterone-3-Glucuronide
• Molecular Formula: C₂₇H₄₀O₁₁
• Molecular Weight: 540.61
• CAS Registry Number: 20605-81-6
• SMILES: [C@H]6(OC1CC[C@]4(C(C1)CCC5C2CC[C@H](C(CO)=O)C23C(O[C@@H](C3)C45)O)C)[C@H](O)[C@H](O)[C@H](O)[C@H](O6)C(=O)O
• InChI: 1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11?,12?,13?,14?,15-,17+,18?,19-,20+,21-,22+,24-,25?,26+,27?/m1/s1
• InChIKey: CGIURIOFMWUPSV-RUQPETGGSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 782.971°C at 760 mmHg (Cal.)
• Flash point: 259.64°C (Cal.)