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(2S)-(8-BETA,8'-ALPHA)-9,9'-EPOXY-4,5-DIMETHOXY-2,2'-CYCLOLIGNAN-4',5'-DIOL
SpectraBase Compound ID IYGJbvPYAyO
InChI InChI=1S/C20H22O5/c1-23-19-6-12-4-14-10-25-9-13(14)3-11-5-17(21)18(22)7-15(11)16(12)8-20(19)24-2/h5-8,13-14,21-22H,3-4,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKey LTCOLAGSPKXVBS-KBPBESRZSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ixzmZnK8GK
Name (2S)-(8.beta.,8'.alpha.)-9,9'-epoxy-4,5-dimethoxy-2,2'-cyclolignane-4',5'-diol
Alternate Name(s) (3aR,13aR)-10,11-dimethoxy-1,3,3a,4,13,13a-hexahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-6,7-diol
CAS Registry Number 119098-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-23-19-6-12-4-14-10-25-9-13(14)3-11-5-17(21)18(22)7-15(11)16(12)8-20(19)24-2/h5-8,13-14,21-22H,3-4,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKey LTCOLAGSPKXVBS-KBPBESRZSA-N
Molecular Weight 342.391 g/mol
SMILES Oc1c(cc2C[C@@]3([C@@](Cc4c(-c2c1)cc(c(c4)OC)OC)(COC3)[H])[H])O
SPLASH splash10-0006-6092000000-5e7eff1c91bab4eaebdb
Source of Spectrum B-41-320-21
Wiley ID 1336652