Schisantherin B

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Properties Simple | Detailed

Formula C28H34O9
IUPAC Name schisantherin b
Molecular Mass 514.564 g·mol−1
Heat of Formation -1310.6 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 607.34 Å 3
Surface Area 435.0 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (5s-(5.alpha.(z),6.beta.,7.beta.))-
  • 2-butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (5s-(5alpha(z),6beta,7beta))-
  • gomisin b
  • schisandrer b
  • schisantherin c
CAS Number(s)
  • 58546-55-7
InChIKey BKGUPIVDQHHVMV-RZGKOBFOSA-N
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