(2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-(5-Hydroxy-2-Methylidenecyclohexylidene)Ethylidene]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-1-Yl]-2,3-Dimethylhept-4-En-2-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 76020-77-4]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-(5-Hydroxy-2-Methylidenecyclohexylidene)Ethylidene]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-1-Yl]-2,3-Dimethylhept-4-En-2-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[(E,2S,5R)-5-[(1R,4E,7Ar)-4-[(2Z)-2-(5-Hydroxy-2-Methylene-Cyclohexylidene)Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-1,1,2-Trimethyl-Hex-3-Enoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(E,2S,5R)-5-[(1R,4E,7Ar)-4-[(2Z)-2-(5-Hydroxy-2-Methylenecyclohexylidene)Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-1,1,2-Trimethylhex-3-Enoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7Ar)-4-[(2Z)-2-(5-Hydroxy-2-Methylidene-Cyclohexylidene)Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2,3-Dimethyl-Hept-4-En-2-Yl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₃₄H₅₂O₈
• Molecular Weight: 588.78
• CAS Registry Number: 76020-77-4
• SMILES: [C@]12([C@H](CCC1C(/CCC2)=C/C=C/3C(CCC(O)C3)=C)[C@@H](\C=C\[C@@H](C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)(C)C)C)C)C
• InChI: 1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24?,25-,26?,27+,28+,29-,30+,32+,34-/m1/s1
• InChIKey: MWEHQOJAQKGFMP-JJVXHKTJSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 743.981°C at 760 mmHg (Cal.)
• Flash point: 229.635°C (Cal.)