(4aS,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-Hydroxy-9-(Hydroxymethyl)-2,4a,6a,6b,9,12a-Hexamethyl-5-Oxo-3,4,6,6a,7,8,8a,10,11,12,13,14b-Dodecahydro-1H-Picene-2-Carboxylic Acid
[CAS# 131137-98-9]

Identification

• Name: (4aS,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-Hydroxy-9-(Hydroxymethyl)-2,4a,6a,6b,9,12a-Hexamethyl-5-Oxo-3,4,6,6a,7,8,8a,10,11,12,13,14b-Dodecahydro-1H-Picene-2-Carboxylic Acid
• Synonyms: (4As,6Ar,6As,6Br,9S,10S,12Ar,14Br)-10-Hydroxy-5-Keto-2,4A,6A,6B,9,12A-Hexamethyl-9-Methylol-3,4,6,6A,7,8,8A,10,11,12,13,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid; 3Beta,24-Dihydroxy-16-Oxoolean-12-En-29-Oic Acid; Olean-12-En-29-Oic Acid, 3,23-Dihydroxy-16-Oxo-, (3Beta,4Beta,20Alpha)-
• Molecular Formula: C₃₀H₄₆O₅
• Molecular Weight: 486.69
• CAS Registry Number: 131137-98-9
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C([C@]([C@@H](O)CC2)(CO)C)CC3)C)[C@@H]5[C@@](C(=O)C4)(CCC(C5)(C(=O)O)C)C)C)C
• InChI: 1S/C30H46O5/c1-25(24(34)35)13-14-26(2)19(15-25)18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-29(21,5)30(18,6)16-23(26)33/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,25?,26+,27+,28-,29-,30-/m1/s1
• InChIKey: JLSMRQKPAPRPMB-HUVORENVSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 621.381°C at 760 mmHg (Cal.)
• Flash point: 343.613°C (Cal.)