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Desmodian A

View entire compound with spectra: 1 MS (GC)

Desmodian A
SpectraBase Compound ID 9a7sMJdJRfI
InChI InChI=1S/C27H30O5/c1-15-22(29-6)20-13-16(14-30-24(20)19-10-12-26(2,3)31-23(15)19)17-7-8-21(28)18-9-11-27(4,5)32-25(17)18/h7-12,16,28H,13-14H2,1-6H3
InChIKey WRAGYYOBKJYWFT-UHFFFAOYSA-N
Mol Weight 434.53 g/mol
Molecular Formula C27H30O5
Exact Mass 434.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 162UMpu4wra
Name Desmodian A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O5
InChI InChI=1S/C27H30O5/c1-15-22(29-6)20-13-16(14-30-24(20)19-10-12-26(2,3)31-23(15)19)17-7-8-21(28)18-9-11-27(4,5)32-25(17)18/h7-12,16,28H,13-14H2,1-6H3
InChIKey WRAGYYOBKJYWFT-UHFFFAOYSA-N
Molecular Weight 434.532 g/mol
SMILES Oc1ccc(c2c1C=CC(O2)(C)C)C1Cc2c(c3C=CC(Oc3c(c2OC)C)(C)C)OC1
SPLASH splash10-0159-0290800000-9c5e5cea0dd4ef840a5c
Source of Spectrum K1-0-5446-3
Wiley ID 1589912