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(1S,5S,8aS)-5-(Methoxycarbonyl)-5,8a-dimethyl-1-(4-methyl-3-oxopentyl)-1,4,4a,5,6,7, 8,8a-octahydronaphthalene-2-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(1S,5S,8aS)-5-(Methoxycarbonyl)-5,8a-dimethyl-1-(4-methyl-3-oxopentyl)-1,4,4a,5,6,7, 8,8a-octahydronaphthalene-2-carboxylic acid
SpectraBase Compound ID 4IuhOARaya
InChI InChI=1S/C21H32O5/c1-13(2)16(22)9-8-15-14(18(23)24)7-10-17-20(15,3)11-6-12-21(17,4)19(25)26-5/h7,13,15,17H,6,8-12H2,1-5H3,(H,23,24)/t15-,17?,20-,21+/m1/s1
InChIKey MKFHXUIWHUXVDC-KXGHRTJOSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J3LQM41m3H
Name (1S,5S,8aS)-5-(Methoxycarbonyl)-5,8a-dimethyl-1-(4-methyl-3-oxopentyl)-1,4,4a,5,6,7, 8,8a-octahydronaphthalene-2-carboxylic acid
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Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-13(2)16(22)9-8-15-14(18(23)24)7-10-17-20(15,3)11-6-12-21(17,4)19(25)26-5/h7,13,15,17H,6,8-12H2,1-5H3,(H,23,24)/t15-,17?,20-,21+/m1/s1
InChIKey MKFHXUIWHUXVDC-KXGHRTJOSA-N
Literature Reference DOI 10.1021/ol202354g
Molecular Weight 364.482 g/mol
SMILES OC(C1=CCC2[C@@](C)(C(OC)=O)CCC[C@]2(C)[C@@]1(CCC(C(C)C)=O)[H])=O
SPLASH splash10-03fr-4790000000-617ed0c5726905a06d81
Source of Spectrum A1-13-5788/SMS11-30
Synonyms (1S,5S,8aS)-5-(methoxycarbonyl)-5,8a-dimethyl-1-(4-methyl-3-oxopentyl)-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
Wiley ID 1753876