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Dimethyl dihydro - agathate

View entire compound with spectra: 3 MS (GC)

Dimethyl dihydro - agathate
SpectraBase Compound ID oeUngFfLk1
InChI InChI=1S/C22H36O4/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/h15,17-18H,2,7-14H2,1,3-6H3/t15?,17-,18+,21+,22+/m0/s1
InChIKey MMEXTNDBWOEMTB-NPDFCKGKSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1APE0W6iZ6
Name Dimethyl dihydro - agathate
CAS Registry Number 1757-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/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/h15,17-18H,2,7-14H2,1,3-6H3/t15?,17-,18+,21+,22+/m0/s1
InChIKey MMEXTNDBWOEMTB-NPDFCKGKSA-N
Molecular Weight 364.526 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CCC(CC(=O)OC)C)[H])=C)[H])C
SPLASH splash10-0fk9-0948000000-e352fd73c735be36eaca
Source of Spectrum Va-0-0-0
Synonyms [1S-(1.alpha.,4a.beta.,5.alpha., 8a.alpha.)]- decahydro-5-(methoxycarbonyl)-.beta.,5.8a-trimethyl-2-methyleme-1-naphthalene-pentanoic acid, methyl ester Dimethyl dihydro-agathate junicedric acid, dimethyl ester labd-8(20)-ene-15,19-dioic acid, dimethyl ester mercusic acid, dimethyl ester Methyl (1R,4aR,5S,8aR)-5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate [1S-(1.alpha.,4a.beta.,5.alpha., 8a.alpha.)]- decahydro-5-(methoxycarbonyl)-.beta.,5.8a-trimethyl-2-methyleme-1-naphthalene-pentanoic acid, methyl ester(CAS) [1S-(1.alpha.,4a.beta.,5.alpha., 8a.alpha.)]- decahydro-5-(methoxycarbonyl)-.beta.,5.8a-trimethyl-2-methylene-1-naphthalene-pentanoic acid, methyl ester
Wiley ID 738930