(4aS,6aS,6bR,8aS,10S,12R,12aR,14aS,14bS)-12-Hydroxy-10-(4-Hydroxybenzoyl)Oxy-2,2,6B,9,9,12a,14a-Heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-Tetradecahydropicene-4a-Carboxylic Acid
[CAS# 155510-77-3]

Identification

• Name: (4aS,6aS,6bR,8aS,10S,12R,12aR,14aS,14bS)-12-Hydroxy-10-(4-Hydroxybenzoyl)Oxy-2,2,6B,9,9,12a,14a-Heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-Tetradecahydropicene-4a-Carboxylic Acid
• Synonyms: (4As,6As,6Br,8As,10S,12R,12Ar,14As,14Bs)-12-Hydroxy-10-[(4-Hydroxyphenyl)-Oxomethoxy]-2,2,6B,9,9,12A,14A-Heptamethyl-1,3,4,5,6A,7,8,8A,10,11,12,13,14,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4As,6As,6Br,8As,10S,12R,12Ar,14As,14Bs)-12-Hydroxy-10-(4-Hydroxyphenyl)Carbonyloxy-2,2,6B,9,9,12A,14A-Heptamethyl-1,3,4,5,6A,7,8,8A,10,11,12,13,14,14B-Tetradecahydropicene-4A-Carboxylic Acid; 1-Hydroxy-3-((4-Hydroxybenzoyl)Oxy)-D-Friedoolean-14-En-28-Oic Acid (1Beta,3Beta)-
• Molecular Formula: C₃₇H₅₂O₆
• Molecular Weight: 592.81
• CAS Registry Number: 155510-77-3
• SMILES: [C@@H]45CC[C@@]1([C@H](CC[C@]2(C)C1=CC[C@@]3([C@H]2CC(CC3)(C)C)C(O)=O)[C@]4([C@@H](C[C@@H](C5(C)C)OC(C6=CC=C(C=C6)O)=O)O)C)C
• InChI: 1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27-,28+,29-,34-,35+,36-,37+/m0/s1
• InChIKey: VGODRAUARQJBJM-FCWPOGGHSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 695.484°C at 760 mmHg (Cal.)
• Flash point: 210.998°C (Cal.)