(3beta,20beta)-3-Hydroxy-11-Oxo-Olean-12-En-29-Oicacid Methyl Ester
[CAS# 1477-44-7]

Identification

• Name: (3beta,20beta)-3-Hydroxy-11-Oxo-Olean-12-En-29-Oicacid Methyl Ester
• Synonyms: (2S,4As,6Ar,6As,6Br,8Ar,10S,12As,14Br)-10-Hydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid Methyl Ester; (2S,4As,6Ar,6As,6Br,8Ar,10S,12As,14Br)-10-Hydroxy-13-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid Methyl Ester; 18-Beta-Glycyrrhetinic Acid Methylester
• Molecular Formula: C₃₁H₄₈O₄
• Molecular Weight: 484.72
• CAS Registry Number: 1477-44-7
• SMILES: [C@@H]5(O)C([C@H]4[C@@]([C@@H]3[C@]([C@@]2(CC[C@@]1([C@@H](C[C@@](CC1)(C)C(=O)OC)C2=CC3=O)C)C)(CC4)C)(CC5)C)(C)C
• InChI: 1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1
• InChIKey: RMIVRCBSQPCSCQ-BDANYOJNSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 558.976°C at 760 mmHg (Cal.)
• Flash point: 170.784°C (Cal.)