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1-Naphthalenecarboxylic acid, 5-(4-carboxy-3-methyl-3-butenyl)decahydro-1,4a-dimethyl-6-methylene-, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-
SpectraBase Compound ID BibRIzmsIwl
InChI InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+
InChIKey QYCOHMYDSOZCQD-OUKQBFOZSA-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 1R6Nw7qweO
Name 1-Naphthalenecarboxylic acid, 5-(4-carboxy-3-methyl-3-butenyl)decahydro-1,4a-dimethyl-6-methylene-, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-
CAS Registry Number 640-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+
InChIKey QYCOHMYDSOZCQD-OUKQBFOZSA-N
Molecular Weight 334.456 g/mol
SMILES OC(C1(CCCC2(C1CCC(C2CC\C(=C\C(O)=O)C)=C)C)C)=O
SPLASH splash10-00bl-3960000000-4c9c02515655e97e002e
Source of Spectrum Va-0-0-0
Synonyms 5-[(3E)-4-Carboxy-3-methyl-3-butenyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid 1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid 5-[(E)-5-hydroxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid Agathenic acid Agathic acid Labda-8(17),13-diene-15,19-dioic acid Labda-8(20)-13-diene-15,19-dioic acid, (E)- 5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid 5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Wiley ID 738932