5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyloxolan-2-Yl]But-1-Enyl]-3-Methyloxan-2-Yl]Prop-1-Enyl]-6-Methylcyclohexyl]Propanoyl]Furan-3-One
[CAS# 75139-06-9]

Identification

• Name: 5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyloxolan-2-Yl]But-1-Enyl]-3-Methyloxan-2-Yl]Prop-1-Enyl]-6-Methylcyclohexyl]Propanoyl]Furan-3-One
• Synonyms: 5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyl-Tetrahydrofuran-2-Yl]But-1-Enyl]-3-Methyl-Tetrahydropyran-2-Yl]Prop-1-Enyl]-6-Methyl-Cyclohexyl]Propanoyl]Furan-3-One; 5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyl-2-Tetrahydrofuranyl]But-1-Enyl]-3-Methyl-2-Tetrahydropyranyl]Prop-1-Enyl]-6-Methylcyclohexyl]-1-Oxopropyl]-3-Furanone; 5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyl-Oxolan-2-Yl]But-1-Enyl]-3-Methyl-Oxan-2-Yl]Prop-1-Enyl]-6-Methyl-Cyclohexyl]Propanoyl]Furan-3-One
• Molecular Formula: C₃₅H₅₄O₈
• Molecular Weight: 602.81
• CAS Registry Number: 75139-06-9
• SMILES: [C@H]1([C@H](CCC[C@H]1C)\C=C(\[C@@H]2O[C@@H](CC[C@H]2C)/C=C/[C@@H](C3O[C@H](C[C@@H]3C)[C@@H](OC)C)C)CO)[C@H](C)C(=O)C4=C(OCC4=O)O
• InChI: 1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,39H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+/t19-,20+,21-,22+,23+,24+,25-,27-,29-,30-,33?,34-/m1/s1
• InChIKey: BCPFVXOLFNHMMQ-BOHWYVPHSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 690.684°C at 760 mmHg (Cal.)
• Flash point: 207.606°C (Cal.)