(2R,4R,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-Dihydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-2-Carboxylic Acid
[CAS# 128301-32-6]

Identification

• Name: (2R,4R,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-Dihydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-2-Carboxylic Acid
• Synonyms: 3,22-Dihydroxy-Delta(12)-Oleanen-29-Oic Acid; Olean-12-En-29-Oic Acid, 3,22-Dihydroxy-, (3Beta,20Alpha,22Beta)-
• Molecular Formula: C₃₀H₄₈O₄
• Molecular Weight: 472.71
• CAS Registry Number: 128301-32-6
• 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](O)C[C@@](C5)(C(=O)O)C)C)C)C
• InChI: 1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22+,23-,26-,27-,28+,29-,30-/m1/s1
• InChIKey: JTBGJQZJEYVBJZ-GRFRUCBCSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 584.073°C at 760 mmHg (Cal.)
• Flash point: 321.075°C (Cal.)