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(3E,7Z,11Z)-17,20-DIHYDROXY-CEMBRA-3,7,11,15-TETRAEN-19-OIC-ACID

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(3E,7Z,11Z)-17,20-DIHYDROXY-CEMBRA-3,7,11,15-TETRAEN-19-OIC-ACID
SpectraBase Compound ID 5b4IQbVKB1x
InChI InChI=1S/C20H30O4/c1-15-5-3-7-19(20(23)24)8-4-6-17(14-22)10-12-18(11-9-15)16(2)13-21/h6-7,9,18,21-22H,2-5,8,10-14H2,1H3,(H,23,24)/b15-9-,17-6+,19-7+
InChIKey KZZTXXNLURJVPT-BZXBKGOJSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ls3wjmeWLIY
Name 1,5,11-Cyclotetradecatriene-1-carboxylic acid, 11-(hydroxymethyl)-8-[1-(hydroxymethyl)ethenyl]-5-methyl-, (Z,Z,E)-
Alternate Name(s) 11-(hydroxymethyl)-8-[1-(hydroxymethyl)vinyl]-5-methyl-1,5,11-cyclotetradecatriene-1-carboxylic acid 9-Methyl-1-hydroxymethyl-5-hydroxycarbonyl-12-(1-hydroxymethyl)-ethenyl-cyclotetradeca-1,5,9-tri-ene
CAS Registry Number 99486-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-15-5-3-7-19(20(23)24)8-4-6-17(14-22)10-12-18(11-9-15)16(2)13-21/h6-7,9,18,21-22H,2-5,8,10-14H2,1H3,(H,23,24)/b15-9-,17-6+,19-7+
InChIKey KZZTXXNLURJVPT-BZXBKGOJSA-N
Molecular Weight 334.456 g/mol
SMILES OCC(C1C\C=C/(CC\C=C/(CC\C=C\(CO)CC1)C(=O)O)C)=C
SPLASH splash10-05mo-3910000000-0fe220b79993eb0051e6
Source of Spectrum B-38-1367-3
Wiley ID 1331116