Phyllyrin

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Properties Simple | Detailed

Formula C27H26O11
IUPAC Name [4-[(3s,3ar,6r,6ar)-6-[5-(oxomethylene)cyclohexa-1,3-dien-1-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenyl] formate; methanone; oxaldehyde; 3-oxoprop-2-enal
Molecular Mass 526.489 g·mol−1
Heat of Formation -1690.9 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 607.36 Å 3
Surface Area 515.75 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4r,6ar)-4-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4r,6ar)-4-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4r,6ar)-4-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4r,6ar)-4-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4r,6ar)-4-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 4-(4-(3,4-dimethoxyphenyl)tetrahydro-1h,3h-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1s-(1alpha,3aalpha,4beta,6aalpha))-beta-d-glucopyranoside
  • beta-d-glucopyranoside, 4-(4-(3,4-dimethoxyphenyl)tetrahydro-1h,3h-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1s-(1alpha,3aalpha,4beta,6aalpha))-
  • phillyrin
CAS Number(s)
  • 487-41-2
  • 81446-28-8
InChIKey KFFCKOBAHMGTMW-LGQRSHAYSA-N
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