3-Oxo-22,23-dihydroxyurs-12-en-30-oic acid methyl ester
[CAS# 109974-22-3]

Identification

• Name: 3-Oxo-22,23-dihydroxyurs-12-en-30-oic acid methyl ester
• Synonyms: (1R,2R,4S,4Ar,6Ar,6As,6Br,8Ar,9R,12Ar,14Bs)-4-Hydroxy-9-(Hydroxymethyl)-1,4A,6A,6B,9,12A-Hexamethyl-10-Oxo-1,2,3,4,5,6,6A,7,8,8A,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid Methyl Ester; (1R,2R,4S,4Ar,6Ar,6As,6Br,8Ar,9R,12Ar,14Bs)-4-Hydroxy-10-Keto-1,4A,6A,6B,9,12A-Hexamethyl-9-Methylol-1,2,3,4,5,6,6A,7,8,8A,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid Methyl Ester; Methyl 3-Oxo-22,23-Dihydroxyurs-12-En-30-Oic Acid
• Molecular Formula: C₃₁H₄₈O₅
• Molecular Weight: 500.72
• CAS Registry Number: 109974-22-3
• SMILES: [C@]25(C(=CC[C@@H]3[C@@]1([C@H]([C@@](CO)(C)C(CC1)=O)CC[C@@]23C)C)[C@H]4[C@]([C@@H](O)C[C@H]([C@@H]4C)C(=O)OC)(CC5)C)C
• InChI: 1S/C31H48O5/c1-18-19(26(35)36-7)16-24(34)28(3)14-15-30(5)20(25(18)28)8-9-22-27(2)12-11-23(33)29(4,17-32)21(27)10-13-31(22,30)6/h8,18-19,21-22,24-25,32,34H,9-17H2,1-7H3/t18-,19+,21+,22+,24-,25-,27-,28-,29-,30+,31+/m0/s1
• InChIKey: SRYDLKHOJXZMCJ-FLUPYHDASA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 591.482°C at 760 mmHg (Cal.)
• Flash point: 182.682°C (Cal.)