(3R,5S)-5-[(2R)-2-[(1R,3aR,4E,7aR)-4-[(2Z)-2-[(3S,5S)-3,5-Dihydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-3-Hydroxy-3-Methyl-Oxolan-2-One
[CAS# 81203-50-1]

Identification

• Name: (3R,5S)-5-[(2R)-2-[(1R,3aR,4E,7aR)-4-[(2Z)-2-[(3S,5S)-3,5-Dihydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-3-Hydroxy-3-Methyl-Oxolan-2-One
• Synonyms: (3R,5S)-5-[(2R)-2-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-3-Hydroxy-3-Methyl-Tetrahydrofuran-2-One; (3R,5S)-5-[(2R)-2-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-Methylenecyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-3-Hydroxy-3-Methyl-2-Tetrahydrofuranone; (3R,5S)-5-[(2R)-2-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-3-Hydroxy-3-Methyl-Oxolan-2-One
• Molecular Formula: C₂₇H₄₀O₅
• Molecular Weight: 444.61
• CAS Registry Number: 81203-50-1
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@@H](O)C[C@H](O)C2)=C)CC[C@@H]3[C@@H](C[C@@H]4OC(=O)[C@](O)(C4)C)C)C
• InChI: 1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21+,22-,23+,24+,26-,27-/m1/s1
• InChIKey: WMYIVSWWSRCZFA-RWVJFQLJSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 624.142°C at 760 mmHg (Cal.)
• Flash point: 204.761°C (Cal.)