(5S,5Ar,8Ar,9S)-9-(2-Chloro-4-Hydroxy-3,5-Dimethoxyphenyl)-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

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Properties Simple | Detailed

Formula C29H31ClO13
IUPAC Name (5s,5ar,8ar,9s)-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-(2-chloro-4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular Mass 623.002 g·mol−1
Heat of Formation -1997.8 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 657.37 Å 3
Surface Area 511.75 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,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-(2-chloro-4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5s,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-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5s-(5alpha,5abeta,8aalpha,9beta(s*)))-5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-o-ethylidene-beta-d-glucopyranosyl)oxy)-5,8,8a,9-tetrahydrofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one
  • 2'-chloroetoposide
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-o-ethylidene-beta-d-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-, (5s-(5alpha,5abeta,8aalpha,9beta(s*)))-
CAS Number(s)
  • 138261-30-0
InChIKey DZMCFYWOYIRWSO-LBBLGMBRSA-N
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