(4E)-N-{1-[(1S,4S,5S,6R)-4,6-Dihydroxy-3,3,5-trimethyl-2-oxocyclohexyl]-1-hydroxy-3-methoxy-2-propanyl}-7-methoxy-9-methyl-4-hexadecenamide
[CAS# 67488-04-4]

Identification

• Name: (4E)-N-{1-[(1S,4S,5S,6R)-4,6-Dihydroxy-3,3,5-trimethyl-2-oxocyclohexyl]-1-hydroxy-3-methoxy-2-propanyl}-7-methoxy-9-methyl-4-hexadecenamide
• Synonyms: (4E)-N-{1-[(1S,4S,5S,6R)-4,6-Dihydroxy-3,3,5-trimethyl-2-oxocyclohexyl]-1-hydroxy-3-methoxy-2-propanyl}-7-methoxy-9-methyl-4-hexadecenamid; (4E)-N-{1-[(1S,4S,5S,6R)-4,6-Dihydroxy-3,3,5-trimethyl-2-oxocyclohexyl]-1-hydroxy-3-methoxy-2-propanyl}-7-methoxy-9-methyl-4-hexadecenamide; (4E)-N-{1-[(1S,4S,5S,6R)-4,6-Dihydroxy-3,3,5-triméthyl-2-oxocyclohexyl]-1-hydroxy-3-méthoxy-2-propanyl}-7-méthoxy-9-méthyl-4-hexadécénamide
• Molecular Formula: C₃₁H₅₇NO₇
• Molecular Weight: 555.79
• CAS Registry Number: 67488-04-4
• SMILES: CCCCCCCC(C)CC(C/C=C/CCC(=O)NC(COC)C([C@@H]1[C@@H]([C@@H]([C@@H](C(C1=O)(C)C)O)C)O)O)OC
• InChI: 1S/C31H57NO7/c1-8-9-10-11-13-16-21(2)19-23(39-7)17-14-12-15-18-25(33)32-24(20-38-6)28(35)26-27(34)22(3)29(36)31(4,5)30(26)37/h12,14,21-24,26-29,34-36H,8-11,13,15-20H2,1-7H3,(H,32,33)/b14-12+/t21?,22-,23?,24?,26-,27+,28?,29-/m0/s1
• InChIKey: OOOJZFAEKGDVGZ-IGWLNAFASA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 707.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 381.8±32.9°C (Cal.)