(5S,5Ar,8Ar,9R)-9-(3,4-Dihydroxy-5-Methoxyphenyl)-8-Oxo-5,5A,6,8,8A,9-Hexahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-5-Yl 4,6-O-[(1R)-Ethylidene]-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C28H30O13
IUPAC Name (5s,5ar,8ar,9r)-5-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular Mass 574.530 g·mol−1
Heat of Formation -1991.8 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 612.57 Å 3
Surface Area 483.51 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-5-(3,4-dihydroxy-5-methoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-5-(3,4-dihydroxy-5-methoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • 3',4'-dihydroxy-vp 16-213
  • 3',4'-dihydroxyetoposide
  • dhvp-16-213
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5-(3,4-dihydroxy-5-methoxyphenyl)-9-((4,6-o-ethylidene-beta-d-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-, (5r-(5alpha,5abeta,8aalpha,9beta(r*)))-
CAS Number(s)
  • 100007-54-3
  • 113566-41-9
InChIKey CYOJPLOJEPTJMM-FMEAWWTOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O