(2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-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# 144629-85-6]

Identification

• Name: (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-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,4S,4Ar,6Ar,6As,6Br,12Ar,14Br)-4-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; 3-Oxo-22-Hydroxy-Olean-12-En-29-Oic Acid; 3-Oxo-22Alpha-Hydroxy-Delta(12)-Oleanen-29-Oic Acid
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 144629-85-6
• SMILES: [C@@]23([C@@H]([C@@]1(C(C(C(=O)CC1)(C)C)CC2)C)CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@](C[C@@H]5O)(C(=O)O)C)C)C)C
• InChI: 1S/C30H46O4/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/h8,19-21,23,32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,23+,26-,27-,28+,29-,30-/m1/s1
• InChIKey: RUJQEBHXYLCSKV-SXSVGGQXSA-N

Properties

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