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Aristoligone
SpectraBase Compound ID L3uigmBNkSu
InChI InChI=1S/C22H26O5/c1-12-13(2)22(23)16-11-20(27-6)19(26-5)10-15(16)21(12)14-7-8-17(24-3)18(9-14)25-4/h7-13,21H,1-6H3/t12-,13-,21?/m0/s1
InChIKey UCHGPGXURWMCBZ-IOTUWOHQSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuIdyH7ukuZ
Name Aristoligone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-12-13(2)22(23)16-11-20(27-6)19(26-5)10-15(16)21(12)14-7-8-17(24-3)18(9-14)25-4/h7-13,21H,1-6H3/t12-,13-,21?/m0/s1
InChIKey UCHGPGXURWMCBZ-IOTUWOHQSA-N
Molecular Weight 370.445 g/mol
SMILES c12c(C(c3cc(OC)c(cc3)OC)[C@]([C@@](C1=O)(C)[H])(C)[H])cc(c(c2)OC)OC
SPLASH splash10-00di-0129000000-6a0e802db079f29ab071
Source of Spectrum X2-51-120-3
Synonyms 2,3-Dimethyl-6,7-dimethoxy-4-(3',4'-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-one, stereoisomer
Wiley ID 1602581