Oudemansin A

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Properties Simple | Detailed

Formula C17H22O4
IUPAC Name methyl (e,2e,3s,4s)-4-methoxy-2-(methoxymethylene)-3-methyl-6-phenyl-hex-5-enoate
Molecular Mass 290.354 g·mol−1
Heat of Formation -540.1 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 373.1 Å 3
Surface Area 326.04 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • (e,2e,3s,4s)-4-methoxy-2-(methoxymethylene)-3-methyl-6-phenyl-hex-5-enoic acid methyl ester
  • (e,2e,3s,4s)-4-methoxy-2-(methoxymethylene)-3-methyl-6-phenylhex-5-enoic acid methyl ester
  • 5-hexenoic acid, 4-methoxy-2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (2e,3r*,4r*,5e)-(-)-
  • 5-hexenoic acid, 4-methoxy-2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (s-(r*,r*-(e,e)))-
  • methyl (e,2e,3s,4s)-4-methoxy-2-(methoxymethylidene)-3-methyl-6-phenyl-hex-5-enoate
  • oudemansin
  • oudemansin b
CAS Number(s)
  • 73341-71-6
InChIKey COBDENJOXQSLKO-NKAAJRRHSA-N
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