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(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
SpectraBase Compound ID 2itCHNt9fUk
InChI InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1
InChIKey YVCVYCSAAZQOJI-JHQYFNNDSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jBfvedNtON
Name 4'-demethylepipodophyllotoxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1
InChIKey YVCVYCSAAZQOJI-JHQYFNNDSA-N
Instrument Name Fisons VG Autospec-M
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(199605)10_7_817
Molecular Weight 400.383 g/mol
SMILES Oc1c(cc([C@]2([C@]3(C(OC[C@@]3([C@@](c3cc4OCOc4cc23)(O)[H])[H])=O)[H])[H])cc1OC)OC
SPLASH splash10-0udi-0230900000-bbd981184f093f0d387b
Source of Spectrum RCM-10-819-2
Wiley ID 1836051