(4aS,6aR,6bR,8aR,10R,11R,12aR,14aS,14bS)-10,11-Bis[(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# 155510-78-4]

Identification

• Name: (4aS,6aR,6bR,8aR,10R,11R,12aR,14aS,14bS)-10,11-Bis[(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,6Ar,6Br,8Ar,10R,11R,12Ar,14As,14Bs)-10,11-Bis[(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,6Ar,6Br,8Ar,10R,11R,12Ar,14As,14Bs)-10,11-Bis[(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; 2-Hydroxymaprounic Acid 2,3-Bis(4-Hydroxybenzoate)
• Molecular Formula: C₄₄H₅₆O₈
• Molecular Weight: 712.92
• CAS Registry Number: 155510-78-4
• SMILES: [C@@H]46[C@@]3([C@H](C([C@@H](OC(=O)C1=CC=C(O)C=C1)[C@H](OC(=O)C2=CC=C(O)C=C2)C3)(C)C)CC[C@]4(C5=CC[C@@]7([C@H]([C@@]5(CC6)C)CC(CC7)(C)C)C(=O)O)C)C
• InChI: 1S/C44H56O8/c1-39(2)22-23-44(38(49)50)21-18-32-41(5)19-16-31-40(3,4)35(52-37(48)27-10-14-29(46)15-11-27)30(51-36(47)26-8-12-28(45)13-9-26)24-43(31,7)33(41)17-20-42(32,6)34(44)25-39/h8-15,18,30-31,33-35,45-46H,16-17,19-25H2,1-7H3,(H,49,50)/t30-,31+,33+,34+,35+,41+,42-,43+,44-/m1/s1
• InChIKey: XPEVLOSUULAUFH-AHHVVZNJSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 794.77°C at 760 mmHg (Cal.)
• Flash point: 233.893°C (Cal.)