Denudatin B

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Properties Simple | Detailed

Formula C21H24O5
IUPAC Name (2s,3r,3ar)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one
Molecular Mass 356.412 g·mol−1
Heat of Formation -537.3 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 435.62 Å 3
Surface Area 370.7 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,3ar)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
  • (2s,3r,3ar)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one
CAS Number(s)
  • 87402-88-8
InChIKey VDYACOATPFOZIO-HBUDHLSFSA-N
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