(18a,20b)-3,11-Dioxo-Olean-12-En-29-Oic acid
[CAS# 6184-16-3]

Identification

• Name: (18a,20b)-3,11-Dioxo-Olean-12-En-29-Oic acid
• Synonyms: (2S,4As,6As,6Ar,6Br,8Ar,12As,14Bs)-10,13-Diketo-2,4A,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,11,12,14B-Dodecahydropicene-2-Carboxylic Acid; Nsc23919; Olean-12-En30-Oic-Acid, 3, 11-Dioxo
• Molecular Formula: C₃₀H₄₄O₄
• Molecular Weight: 468.68
• CAS Registry Number: 6184-16-3
• 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(CCC(=O)C5(C)C)C)C
• InChI: 1S/C30H44O4/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/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,23-,26-,27+,28+,29-,30-/m1/s1
• InChIKey: QGWDYPREORDRIT-DSIOGZMYSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 586.827°C at 760 mmHg (Cal.)
• Flash point: 322.739°C (Cal.)

References

• (1): H. W. Thompson, R. A. Lalancette and E. M. Kikolski. (+)-14b[alpha]-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid, Acta Cryst. (2006). E62, o5482-o5484