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Methyl 3-hydroxy-12-oxolabd-8(17)-en-19-oate
SpectraBase Compound ID KNGmfsQvkA4
InChI InChI=1S/C21H34O4/c1-7-21(5,24)17(22)13-15-14(2)9-10-16-19(15,3)11-8-12-20(16,4)18(23)25-6/h15-16,24H,2,7-13H2,1,3-6H3/t15-,16?,19+,20-,21?/m0/s1
InChIKey VAIYEBZQVXPAGM-MBJRLZKLSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKVVWsNZGlg
Name Methyl 3-hydroxy-12-oxolabd-8(17)-en-19-oate
Alternate Name(s) Methyl (1S,4aR,5S)-5-(3-hydroxy-3-methyl-2-oxopentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate
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Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-7-21(5,24)17(22)13-15-14(2)9-10-16-19(15,3)11-8-12-20(16,4)18(23)25-6/h15-16,24H,2,7-13H2,1,3-6H3/t15-,16?,19+,20-,21?/m0/s1
InChIKey VAIYEBZQVXPAGM-MBJRLZKLSA-N
Molecular Weight 350.499 g/mol
SMILES OC(C(C[C@@]1([C@@]2(C([C@](C(=O)OC)(C)CCC2)CCC1=C)C)[H])=O)(CC)C
SPLASH splash10-00di-9520000000-359444a5254a89adff5d
Source of Spectrum AC-1993-704-15
Wiley ID 811629