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DIMETHYLAGATHAT

View entire compound with spectra: 7 NMR, and 7 MS (GC)

DIMETHYLAGATHAT
SpectraBase Compound ID IE3usP97R6C
InChI InChI=1S/C22H34O4/c1-15(14-19(23)25-5)8-10-17-16(2)9-11-18-21(17,3)12-7-13-22(18,4)20(24)26-6/h14,17-18H,2,7-13H2,1,3-6H3/b15-14+
InChIKey GVEUOELTSSYBCA-CCEZHUSRSA-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 2y1A3aNMj0
Name 1-Naphthalenecarboxylic acid, decahydro-5-(5-methoxy-3-methyl-5-oxo-3-pentenyl)-1,4a-dimethyl-6-methylene-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-
CAS Registry Number 1757-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-15(14-19(23)25-5)8-10-17-16(2)9-11-18-21(17,3)12-7-13-22(18,4)20(24)26-6/h14,17-18H,2,7-13H2,1,3-6H3/b15-14+
InChIKey GVEUOELTSSYBCA-CCEZHUSRSA-N
Molecular Weight 362.510 g/mol
SMILES COC(=O)\C=C/(C)CCC1C(=C)CCC2C1(C)CCCC2(C)C(=O)OC
SPLASH splash10-05al-9610000000-aa2c22fcdd63d560ab60
Source of Spectrum EP-5542-0-0
Synonyms Methyl 5-[(3E)-5-methoxy-3-methyl-5-oxo-3-pentenyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate 5-[(E)-5-keto-5-methoxy-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid methyl ester 5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid methyl ester Dimethyl 8(17),E-13-labdadien-15,19-dioate Labda-8(20),13-diene-15,19-dioic acid, dimethyl ester, (E)- Methyl 5-[(E)-5-methoxy-3-methyl-5-oxidanylidene-pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate Methyl 5-[(E)-5-methoxy-3-methyl-5-oxo-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylate Methyl 5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate Methyl athecate
Wiley ID 1349827