22beta-Angeloyloxyoleanolic Acid
[CAS# 13224-63-0]

Identification

• Name: 22beta-Angeloyloxyoleanolic Acid
• Synonyms: (4R,4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-4-[(E)-2-Methyl-1-Oxobut-2-Enoxy]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; 22Beta-Angeloyloxyoleanolic Acid; Lantadene A (Reduced)
• Molecular Formula: C₃₅H₅₄O₅
• Molecular Weight: 554.81
• CAS Registry Number: 13224-63-0
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C(C([C@@H](O)CC2)(C)C)CC3)C)[C@@H]5[C@@](CC4)([C@H](OC(=O)C(=C/C)/C)CC(C5)(C)C)C(=O)O)C)C
• InChI: 1S/C35H54O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-27,36H,12-20H2,1-9H3,(H,38,39)/b21-10+/t23-,24?,25-,26+,27-,32+,33-,34-,35+/m1/s1
• InChIKey: BJFLQQFMBZHWKK-LQJUYVCFSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 628.002°C at 760 mmHg (Cal.)
• Flash point: 187.825°C (Cal.)