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1-Naphthalenecarboxylic acid, 5-(4-carboxy-3-methyl-3-butenyl)-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-
SpectraBase Compound ID 5xyHya0Oply
InChI InChI=1S/C20H30O4/c1-13(12-17(21)22)8-10-19(3)14(2)9-11-20(4)15(18(23)24)6-5-7-16(19)20/h6,12,14,16H,5,7-11H2,1-4H3,(H,21,22)(H,23,24)/b13-12+
InChIKey FMWSHZRIJXQMOO-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 KfOyyPVeSuv
Name 1-Naphthalenecarboxylic acid, 5-(4-carboxy-3-methyl-3-butenyl)-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-
CAS Registry Number 55252-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-13(12-17(21)22)8-10-19(3)14(2)9-11-20(4)15(18(23)24)6-5-7-16(19)20/h6,12,14,16H,5,7-11H2,1-4H3,(H,21,22)(H,23,24)/b13-12+
InChIKey FMWSHZRIJXQMOO-OUKQBFOZSA-N
Molecular Weight 334.456 g/mol
SMILES OC(C=1C2(C(C(CC\C(=C\C(O)=O)C)(C(CC2)C)C)CCC1)C)=O
SPLASH splash10-0g4l-5912000000-3e2bba3f27cdf9e545fd
Source of Spectrum T-66-1841-0
Synonyms 5-[(3E)-4-Carboxy-3-methyl-3-butenyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid 5,6,8a-trimethyl-5-[(E)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-3-enyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid 5-[(E)-4-carboxy-3-methylbut-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Wiley ID 49937