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benzyl 5-O-acetyl-4-O-methylhiasciate
SpectraBase Compound ID 11WtaqvF4CH
InChI InChI=1S/C34H30O12/c1-17-11-22(13-24(36)28(17)32(39)43-16-21-9-7-6-8-10-21)45-33(40)29-18(2)12-23(14-25(29)37)46-34(41)30-19(3)31(44-20(4)35)27(42-5)15-26(30)38/h6-15,36-38H,16H2,1-5H3
InChIKey FLWKSJZZLYYPFO-UHFFFAOYSA-N
Mol Weight 630.6 g/mol
Molecular Formula C34H30O12
Exact Mass 630.173726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68EvirrTIAQ
Name benzyl 5-O-acetyl-4-O-methylhiasciate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30O12
InChI InChI=1S/C34H30O12/c1-17-11-22(13-24(36)28(17)32(39)43-16-21-9-7-6-8-10-21)45-33(40)29-18(2)12-23(14-25(29)37)46-34(41)30-19(3)31(44-20(4)35)27(42-5)15-26(30)38/h6-15,36-38H,16H2,1-5H3
InChIKey FLWKSJZZLYYPFO-UHFFFAOYSA-N
Molecular Weight 630.602 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(c(c1)C)C(OCc1ccccc1)=O)O)=O)C)OC(c1c(c(OC(=O)C)c(cc1O)OC)C)=O
SPLASH splash10-0006-9200000000-25935996b4b523c73eac
Source of Spectrum B-44-157-0
Wiley ID 1412095