Methyl [(1E,5R)-5-{5-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-6-hydroxy-4-oxo-4H-pyran-2-yl}-1-hexen-1-yl]carbamate
[CAS# 88192-98-7]

Identification

• Name: Methyl [(1E,5R)-5-{5-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-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-octadienyl)-4-hydroxy-2-oxo-2H-pyran-6-yl)-1-hexenyl)-, methyl ester, (R-(E,E,E))-; myxopyronin A
• Molecular Formula: C₂₃H₃₁NO₆
• Molecular Weight: 417.49
• CAS Registry Number: 88192-98-7
• SMILES: O=C(C=1C(=O)/C=C(\OC=1O)[C@H](C)CC\C=C\NC(=O)OC)\C(=C\C=C(/C)CCC)C
• InChI: 1S/C23H31NO6/c1-6-9-15(2)11-12-17(4)21(26)20-18(25)14-19(30-22(20)27)16(3)10-7-8-13-24-23(28)29-5/h8,11-14,16,27H,6-7,9-10H2,1-5H3,(H,24,28)/b13-8+,15-11+,17-12+/t16-/m1/s1
• InChIKey: MHYAUZGPOFPRQM-JNZIYJEQSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 569.234°C at 760 mmHg (Cal.)
• Flash point: 298.062°C (Cal.)