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Ardisiaquinone E
SpectraBase Compound ID A9BvV5iISEm
InChI InChI=1S/C29H40O6/c1-35-27-21-26(32)28(33)25(29(27)34)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22-18-23(30)20-24(31)19-22/h2-3,18-21,30-31,33H,4-17H2,1H3/b3-2+
InChIKey UAVAYCHSCHCWEM-NSCUHMNNSA-N
Mol Weight 484.6 g/mol
Molecular Formula C29H40O6
Exact Mass 484.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j5gzoj6Mad
Name Ardisiaquinone E
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O6
InChI InChI=1S/C29H40O6/c1-35-27-21-26(32)28(33)25(29(27)34)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22-18-23(30)20-24(31)19-22/h2-3,18-21,30-31,33H,4-17H2,1H3/b3-2+
InChIKey UAVAYCHSCHCWEM-NSCUHMNNSA-N
Molecular Weight 484.633 g/mol
SMILES OC1=C(CCCCCCC\C=C\CCCCCCCc2cc(cc(c2)O)O)C(C(=CC1=O)OC)=O
SPLASH splash10-001i-0200900000-9875422a5039eebd0a83
Source of Spectrum E2-46-1774-3
Synonyms 3-[(E)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 3-[(E)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2-hydroxy-5-methoxy-1,4-benzoquinone 3-[(E)-16-[3,5-bis(oxidanyl)phenyl]hexadec-8-enyl]-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1554632