N-{(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-Dimethoxy-3,12,18,21,23-Pentamethyl-24-Oxooxacyclotetracosa-4,6,11,13,17,19,22-Heptaen-2-Yl]-2-Methyl-2,4-Hexadien-1-Yl}-N~2~-Formyl-L-Serinamide

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Properties Simple | Detailed

Formula C41H60N2O7
IUPAC Name (2s)-n-[(2e,4e)-5-[(2s,3s,4e,6e,8s,11z,13e,16s,17z,19z,21r,22z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-hydroxy-propanamide
Molecular Mass 692.924 g·mol−1
Heat of Formation -1073.1 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 951.44 Å 3
Surface Area 653.2 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2e,4e)-5-[(2s,3s,4e,6e,8s,11z,13e,16s,17z,19z,21r,22z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-hydroxy-propanamide
  • (2s)-n-[(2e,4e)-5-[(2s,3s,4e,6e,8s,11z,13e,16s,17z,19z,21r,22z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
  • n-[(1s)-2-keto-2-[[(2e,4e)-5-[(2s,3s,4e,6e,8s,11z,13e,16s,17z,19z,21r,22z)-24-keto-8,16-dimethoxy-3,12,18,21,23-pentamethyl-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]amino]-1-methylol-ethyl]formamide
CAS Number(s)
  • 117582-92-0
InChIKey YVOFDUHVTLZRBY-PKHTZJHZSA-N
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