(3beta, 4alpha)-3-Hydroxy-23-Oxoolean-12-En-28-Oic Acid
[CAS# 639-14-5]

Identification

• Name: (3beta, 4alpha)-3-Hydroxy-23-Oxoolean-12-En-28-Oic Acid
• Synonyms: (4As,6Ar,6As,6Br,8Ar,9S,10S,12Ar,14Bs)-10-Hydroxy-9-Methanoyl-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; Githagenin; 3Beta-Hydroxy-23-Oxoolean-12-En-28-Oic Acid
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 639-14-5
• EINECS: 211-353-7
• SMILES: [C@]25(C(=CC[C@@H]3[C@]1(CC[C@@H]([C@]([C@@H]1CC[C@@]23C)(C=O)C)O)C)[C@@H]4CC(C)(C)CC[C@@]4(CC5)C(=O)O)C
• InChI: 1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
• InChIKey: QMHCWDVPABYZMC-MYPRUECHSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 581.146°C at 760 mmHg (Cal.)
• Flash point: 319.307°C (Cal.)