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Maesanin
SpectraBase Compound ID BYOrr8uzryJ
InChI InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h6-7,17,24H,3-5,8-16H2,1-2H3/b7-6+
InChIKey WVHQJXPRVZBEFP-VOTSOKGWSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xzRCeoJ8lE
Name Maesanin
Alternate Name(s) 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(10-pentadecenyl)-, (Z)- 2-hydroxy-5-methoxy-3-[(E)-pentadec-10-enyl]-1,4-benzoquinone 2-hydroxy-5-methoxy-3-[(E)-pentadec-10-enyl]-p-benzoquinone 2-hydroxy-5-methoxy-3-[(E)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione 5-methoxy-2-oxidanyl-3-[(E)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 82380-21-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h6-7,17,24H,3-5,8-16H2,1-2H3/b7-6+
InChIKey WVHQJXPRVZBEFP-VOTSOKGWSA-N
Molecular Weight 362.510 g/mol
SMILES OC1=C(C(C(=CC1=O)OC)=O)CCCCCCCCC\C=C\CCCC
SPLASH splash10-03xr-0609000000-b96785e372cbf9f2bd0e
Source of Spectrum J-57-3244-1
Wiley ID 1349870