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epipcropodophyllic acid

View entire compound with spectra: 1 MS (GC)

epipcropodophyllic acid
SpectraBase Compound ID EaWWK8BmNZj
InChI InChI=1S/C22H24O9/c1-27-16-4-10(5-17(28-2)21(16)25)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(26)29-3/h4-7,13,18-20,23-25H,8-9H2,1-3H3/t13?,18-,19-,20?/m1/s1
InChIKey KVRNAQCPAOLAEP-QEJKFARNSA-N
Mol Weight 432.43 g/mol
Molecular Formula C22H24O9
Exact Mass 432.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wMUSNxLtkL
Name epipcropodophyllic acid
Alternate Name(s) Methyl (5R,6S)-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate
CAS Registry Number 122871-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O9
InChI InChI=1S/C22H24O9/c1-27-16-4-10(5-17(28-2)21(16)25)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(26)29-3/h4-7,13,18-20,23-25H,8-9H2,1-3H3/t13?,18-,19-,20?/m1/s1
InChIKey KVRNAQCPAOLAEP-QEJKFARNSA-N
Molecular Weight 432.425 g/mol
SMILES OC1c2c([C@@](c3cc(c(c(c3)OC)O)OC)([C@@](C1CO)(C(=O)OC)[H])[H])cc1c(c2)OCO1
SPLASH splash10-0006-9010300000-3c678f84c81640b9bf23
Source of Spectrum J-54-4289-28
Wiley ID 1382193