Octahydro-6,7alpha-Dihydroxy-4-Methyl-7-[4-Methyl-7-(Tetrahydro-5-Oxo-2-Furyl)-1-Heptenyl]-3-(Phenylmethyl)-1H-Isoindol-1-One
[CAS# 14110-71-5]

Identification

• Name: Octahydro-6,7alpha-Dihydroxy-4-Methyl-7-[4-Methyl-7-(Tetrahydro-5-Oxo-2-Furyl)-1-Heptenyl]-3-(Phenylmethyl)-1H-Isoindol-1-One
• Synonyms: 6,7A-Dihydroxy-4-Methyl-5-Methylidene-7-[(E)-4-Methyl-7-(5-Oxooxolan-2-Yl)Hept-1-Enyl]-3-(Phenylmethyl)-2,3,3A,4,6,7-Hexahydroisoindol-1-One; 6,7A-Dihydroxy-4-Methyl-5-Methylene-7-[(E)-4-Methyl-7-(5-Oxotetrahydrofuran-2-Yl)Hept-1-Enyl]-3-(Phenylmethyl)-2,3,3A,4,6,7-Hexahydroisoindol-1-One; 6,7A-Dihydroxy-4-Methyl-5-Methylene-7-[4-Methyl-7-(5-Oxotetrahydrofuran-2-Yl)Hept-1-Enyl]-3-(Phenylmethyl)-2,3,3A,4,6,7-Hexahydroisoindol-1-One
• Molecular Formula: C₂₉H₃₉NO₅
• Molecular Weight: 481.63
• CAS Registry Number: 14110-71-5
• EINECS: 237-965-4
• SMILES: C4=C(CC3C2C(O)(C(\C=C\CC(CCCC1OC(CC1)=O)C)C(C(C2C)=C)O)C(=O)N3)C=CC=C4
• InChI: 1S/C29H39NO5/c1-18(9-7-13-22-15-16-25(31)35-22)10-8-14-23-27(32)20(3)19(2)26-24(30-28(33)29(23,26)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,32,34H,3,7,9-10,13,15-17H2,1-2H3,(H,30,33)/b14-8+
• InChIKey: VJQJWFGRYRQFRH-RIYZIHGNSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 669.895°C at 760 mmHg (Cal.)
• Flash point: 358.94°C (Cal.)