Gymnastatin H

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Properties Simple | Detailed

Formula C24H35NO4
IUPAC Name methyl (2s)-2-[[(2e,4e,6r)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoate
Molecular Mass 401.539 g·mol−1
Heat of Formation -755.5 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 537.01 Å 3
Surface Area 471.24 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2e,4e,6r)-4,6-dimethyl-1-oxododeca-2,4-dienyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester
  • (2s)-2-[[(2e,4e,6r)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester
  • methyl (2s)-2-[[(2e,4e,6r)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoate
InChIKey GGAGAVWBROLYIO-UHGNHMIBSA-N
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