(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-Ethyl-6-Hydroxy-3,5,7,9,11,15-Hexamethyl-19-[(2R,3S)-3-Methyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]-8-Oxo-2,10,12,16,18-Nonadecapentaenoic Acid

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Properties Simple | Detailed

Formula C33H48O6
IUPAC Name (2e,5s,6r,7s,9r,10e,12e,15r,16z,18e)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2s,3s)-3-methyl-6-oxo-2,3,4,5-tetrahydropyran-4,5-diid-2-yl]-8-oxo-nonadeca-2,10,12,16,18-pentaenoate
Molecular Mass 540.731 g·mol−1
Heat of Formation -1147.4 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 725.5 Å 3
Surface Area 521.71 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,5s,6r,7s,9r,10e,12e,15r,16z,18e)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2r,3s)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxo-nonadeca-2,10,12,16,18-pentaenoic acid
  • (2e,5s,6r,7s,9r,10e,12e,15r,16z,18e)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2r,3s)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid
  • (2e,5s,6r,7s,9r,10e,12e,15r,16z,18e)-17-ethyl-6-hydroxy-8-keto-19-[(2r,3s)-6-keto-3-methyl-2,3-dihydropyran-2-yl]-3,5,7,9,11,15-hexamethyl-nonadeca-2,10,12,16,18-pentaenoic acid
  • 2,10,12,16,18-nonadecapentaenoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2h-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-
  • 2,10,12,16,18-nonadecapentanoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2h-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-
  • antibiotic ci 940
  • antibiotic cl 1957a
  • cl 1957a
  • elactocin
  • leptomycin b
  • mantuamycin
  • pd 114720
CAS Number(s)
  • 87081-35-4
InChIKey YACHGFWEQXFSBS-NRQIOVFOSA-N
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