(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-6a-[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-2,2,6B,9,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-4a-Carboxylic Acid
[CAS# 152509-92-7]

Identification

• Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-6a-[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-2,2,6B,9,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-4a-Carboxylic Acid
• Synonyms: (4As,6Ar,6Ar,6Br,8Ar,10S,12Ar,14Bs)-10-[(E)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]-6A-[[(E)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-2,2,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4As,6Ar,6Ar,6Br,8Ar,10S,12Ar,14Bs)-10-[(E)-3-(4-Hydroxyphenyl)Acryloyl]Oxy-6A-[[(E)-3-(4-Hydroxyphenyl)Acryloyl]Oxymethyl]-2,2,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; 3,27-Di-O-P-Coumaroyloxyolean-12-En-28-Oic Acid
• Molecular Formula: C₄₈H₆₀O₈
• Molecular Weight: 765.00
• CAS Registry Number: 152509-92-7
• SMILES: [C@@]34([C@@H]([C@@]2([C@H](C([C@@H](OC(=O)\C=C\C1=CC=C(O)C=C1)CC2)(C)C)CC3)C)CC=C5[C@]4(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)O)COC(=O)\C=C\C7=CC=C(O)C=C7)C
• InChI: 1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12+/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1
• InChIKey: YBOIBOWMTWFCEG-MVYRAAOISA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 837.777°C at 760 mmHg (Cal.)
• Flash point: 241.783°C (Cal.)