(2R,4aS,6aR,6aS,6bR,10R,12aR,14bS)-10-Hydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-11-Oxo-3,4,5,6,6a,7,8,8a,10,12,13,14b-Dodecahydro-1H-Picene-2-Carboxylic Acid
[CAS# 159359-63-4]

Identification

• Name: (2R,4aS,6aR,6aS,6bR,10R,12aR,14bS)-10-Hydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-11-Oxo-3,4,5,6,6a,7,8,8a,10,12,13,14b-Dodecahydro-1H-Picene-2-Carboxylic Acid
• Synonyms: (2R,4As,6Ar,6As,6Br,10R,12Ar,14Bs)-10-Hydroxy-11-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,10,12,13,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid; 2-Oxo-3-Hydroxyolean-12-En-30-Oic Acid; 3-Hydroxy-2-Oxoolean-12-En-30-Oic Acid
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 159359-63-4
• SMILES: [C@@]23([C@@H]([C@@]1(C(C([C@@H](O)C(=O)C1)(C)C)CC2)C)CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(C(=O)O)C)C)C)C
• InChI: 1S/C30H46O4/c1-25(2)21-10-11-30(7)22(28(21,5)17-20(31)23(25)32)9-8-18-19-16-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h8,19,21-23,32H,9-17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26-,27-,28+,29-,30-/m1/s1
• InChIKey: WOKFCRPNGIVPEZ-RYBKRTJCSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 582.482°C at 760 mmHg (Cal.)
• Flash point: 320.113°C (Cal.)