For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
BRANDISIANIN_B
SpectraBase Compound ID 5xLuHDXhbSZ
InChI InChI=1S/C22H20O7/c1-10(2)16-6-12-18(29-16)8-15(24)20-21(25)13(9-28-22(12)20)11-5-19(27-4)14(23)7-17(11)26-3/h5,7-9,16,23-24H,1,6H2,2-4H3/t16-/m1/s1
InChIKey VIMHZMOJYABXJB-MRXNPFEDSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L3HH0dmyuYX
Name Brandisianin B
Alternate Name(s) (8R)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(1-methylethenyl)-8,9-dihydrofuro[2,3-h][1]benzopyran-4-one (8R)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one (8R)-3-(2,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-10(2)16-6-12-18(29-16)8-15(24)20-21(25)13(9-28-22(12)20)11-5-19(27-4)14(23)7-17(11)26-3/h5,7-9,16,23-24H,1,6H2,2-4H3/t16-/m1/s1
InChIKey VIMHZMOJYABXJB-MRXNPFEDSA-N
Molecular Weight 396.395 g/mol
SMILES Oc1cc(c(C=2C(c3c(cc4O[C@](Cc4c3OC2)(C(=C)C)[H])O)=O)cc1OC)OC
SPLASH splash10-00kb-0209000000-99e2208a5a69c22172ca
Source of Spectrum G4-70-1913-2
Wiley ID 1694849