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5'-DESMETHOXY-YATEIN
SpectraBase Compound ID Go7R7EUVd38
InChI InChI=1S/C21H22O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+/m0/s1
InChIKey IYBDDRJHJMFFBB-JKSUJKDBSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UwboGoaHM0
Name (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxolanone
CAS Registry Number 87727-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+/m0/s1
InChIKey IYBDDRJHJMFFBB-JKSUJKDBSA-N
Molecular Weight 370.401 g/mol
SMILES C1([C@@]([C@@](Cc2cc3OCOc3cc2)(CO1)[H])(Cc1cc(OC)c(cc1)OC)[H])=O
SPLASH splash10-0udi-0903000000-7fafc767cfdbdadb9e78
Source of Spectrum KC-1983-646-0
Synonyms (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one (3R,4R)-4-piperonyl-3-veratryl-tetrahydrofuran-2-one
Wiley ID 1354315