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

View entire compound with spectra: 1 MS (GC)

(5S,5aR,8aS,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
SpectraBase Compound ID K2mF9vchMSX
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-VEFTVXKRSA-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 3yZkuHEaWG
Name (5S,5aR,8aS,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
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-VEFTVXKRSA-N
Molecular Weight 400.383 g/mol
SMILES Oc1c(cc([C@@]2(c3c([C@]([C@@]4([C@]2(C(OC4)=O)[H])[H])(O)[H])cc2c(c3)OCO2)[H])cc1OC)OC
SPLASH splash10-001j-0096300000-17ad7d5270cda048a47c
Source of Spectrum SI-4-36-12
Synonyms (5R,5aS,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Wiley ID 1813340