(3beta,20alpha)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
[CAS# 10379-72-3]

Identification

• Name: (3beta,20alpha)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
• Synonyms: (2R,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; (3Beta,20Alpha)-3-Hydroxy-11-Oxoolean-12-En-29-Oic Acid
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 10379-72-3
• EINECS: 233-838-2
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@H]3[C@@](CC2)(CC[C@](C3)(C(=O)O)C)C)C)(CC[C@@H]5[C@@]4(CC[C@H](O)C5(C)C)C)C
• InChI: 1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27+,28-,29+,30+/m0/s1
• InChIKey: MPDGHEJMBKOTSU-IDZWEYSVSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 588.337°C at 760 mmHg (Cal.)
• Flash point: 323.651°C (Cal.)