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Bicyclo[3.3.1]non-3-en-2-one, 7,9-bis(acetyloxy)-6-(3,4-dimethoxyphenyl)-4-methoxy-, (6-endo,7-exo,9-anti)-
SpectraBase Compound ID I8OhwYnLXFn
InChI InChI=1S/C22H26O8/c1-11(23)29-19-9-14-15(25)10-18(28-5)21(22(14)30-12(2)24)20(19)13-6-7-16(26-3)17(8-13)27-4/h6-8,10,14,19-22H,9H2,1-5H3/t14-,19?,20?,21-,22-/m1/s1
InChIKey PRAVXVCDTGXZDC-BXMLTJNJSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2FnqV3HWA5
Name Bicyclo[3.3.1]non-3-en-2-one, 7,9-bis(acetyloxy)-6-(3,4-dimethoxyphenyl)-4-methoxy-, (6-endo,7-exo,9-anti)-
CAS Registry Number 52358-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-11(23)29-19-9-14-15(25)10-18(28-5)21(22(14)30-12(2)24)20(19)13-6-7-16(26-3)17(8-13)27-4/h6-8,10,14,19-22H,9H2,1-5H3/t14-,19?,20?,21-,22-/m1/s1
InChIKey PRAVXVCDTGXZDC-BXMLTJNJSA-N
Molecular Weight 418.442 g/mol
SMILES [C@]12(C(=CC([C@]([C@]2(OC(=O)C)[H])(CC(C1c1cc(OC)c(cc1)OC)OC(=O)C)[H])=O)OC)[H]
SPLASH splash10-0gb9-0971100000-246375a926150d49cb2c
Source of Spectrum J-9-3247-91
Synonyms 7-(acetyloxy)-8-(3,4-dimethoxyphenyl)-2-methoxy-4-oxobicyclo[3.3.1]non-2-en-9-yl acetate Trimethyldihydrocatechinic acid
Wiley ID 1377134