Methyl [(1E,5R)-5-{5-[(2E,4E)-2,5-dimethyl-2,4-nonadienoyl]-6-hydroxy-4-oxo-4H-pyran-2-yl}-1-hexen-1-yl]carbamate
[CAS# 88192-99-8]

Identification

• Name: Methyl [(1E,5R)-5-{5-[(2E,4E)-2,5-dimethyl-2,4-nonadienoyl]-6-hydroxy-4-oxo-4H-pyran-2-yl}-1-hexen-1-yl]carbamate
• Synonyms: Carbamic acid, (5-(3-(2,5-dimethyl-1-oxo-2,4-nonadienyl)-4-hydroxy-2-oxo-2H-pyran-6-yl)-1-hexenyl)-, methyl ester, (R-(E,E,E))-; Myxopyronin B
• Molecular Formula: C₂₄H₃₃NO₆
• Molecular Weight: 431.52
• CAS Registry Number: 88192-99-8
• SMILES: O=C(C=1C(=O)/C=C(\OC=1O)[C@H](C)CC\C=C\NC(=O)OC)\C(=C\C=C(/C)CCCC)C
• InChI: 1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h9,12-15,17,28H,6-8,10-11H2,1-5H3,(H,25,29)/b14-9+,16-12+,18-13+/t17-/m1/s1
• InChIKey: QGVPFCJNKMEFPM-WXFBSNOUSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 579.229°C at 760 mmHg (Cal.)
• Flash point: 304.107°C (Cal.)