1-Benzyl-4-[(1E)-8,11-dihydroxy-4-methyl-1-undecen-1-yl]-7-methyl-6-methyleneoctahydro-3aH-isoindole-3a,5-diol
[CAS# 14110-73-7]

Identification

• Name: 1-Benzyl-4-[(1E)-8,11-dihydroxy-4-methyl-1-undecen-1-yl]-7-methyl-6-methyleneoctahydro-3aH-isoindole-3a,5-diol
• Synonyms: 1-Benzyl-4-[(1E)-8,11-dihydroxy-4-methyl-1-undecenyl]-7-methyl-6-methyleneoctahydro-3ah-isoindole-3a,5-diol #
• Molecular Formula: C₂₉H₄₅NO₄
• Molecular Weight: 471.67
• CAS Registry Number: 14110-73-7
• SMILES: OCCCC(O)CCCC(C)C/C=C/C1C(O)C(=C)\C(C2C(NCC12O)Cc3ccccc3)C
• InChI: 1S/C29H45NO4/c1-20(10-7-14-24(32)15-9-17-31)11-8-16-25-28(33)22(3)21(2)27-26(30-19-29(25,27)34)18-23-12-5-4-6-13-23/h4-6,8,12-13,16,20-21,24-28,30-34H,3,7,9-11,14-15,17-19H2,1-2H3/b16-8+
• InChIKey: IMSGHUBCVJVMDU-LZYBPNLTSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 609.523°C at 760 mmHg (Cal.)
• Flash point: 50.229°C (Cal.)
• Refractive index: 1.577 (Cal.)