(2R,4aS,6aS,6aS,6bR,12S,12aR,14bS)-12-Hydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-10-Oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-Dodecahydro-1H-Picene-2-Carboxylic Acid
[CAS# 159359-64-5]

Identification

• Name: (2R,4aS,6aS,6aS,6bR,12S,12aR,14bS)-12-Hydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-10-Oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-Dodecahydro-1H-Picene-2-Carboxylic Acid
• Synonyms: (2R,4As,6As,6As,6Br,12S,12Ar,14Bs)-12-Hydroxy-10-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,11,12,13,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid; 1-Hydroxy-3-Oxoolean-12-En-30-Oic Acid; Dillenic Acid C
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 159359-64-5
• SMILES: [C@@]23([C@@H]([C@@]1(C(C(C(=O)C[C@@H]1O)(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)20-10-11-29(6)21(30(20,7)23(32)16-22(25)31)9-8-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-28(18,29)5/h8,19-21,23,32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21+,23+,26-,27-,28-,29-,30+/m1/s1
• InChIKey: OLBGREBERCXYAJ-UEDINLSZSA-N

Properties

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