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Methyl 9(r,s)-9-methyl-10-nor-8-oxo-8,9-seco-labd-5(10)-oate
SpectraBase Compound ID 9zJXrDxyxuL
InChI InChI=1S/C21H36O3/c1-7-17(22)14-19-18(9-8-12-21(19,4)5)16(3)11-10-15(2)13-20(23)24-6/h15-16H,7-14H2,1-6H3/t15-,16?/m0/s1
InChIKey MLTFIPYPJRMENT-VYRBHSGPSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AulVKn8tTr
Name Methyl 9(r,s)-9-methyl-10-nor-8-oxo-8,9-seco-labd-5(10)-oate
CAS Registry Number 108888-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-7-17(22)14-19-18(9-8-12-21(19,4)5)16(3)11-10-15(2)13-20(23)24-6/h15-16H,7-14H2,1-6H3/t15-,16?/m0/s1
InChIKey MLTFIPYPJRMENT-VYRBHSGPSA-N
Molecular Weight 336.516 g/mol
SMILES C1(=C(C(CC[C@@](CC(=O)OC)(C)[H])C)CCCC1(C)C)CC(=O)CC
SPLASH splash10-000f-7911000000-442d1b636330b4445321
Source of Spectrum F-42-4573-12
Synonyms Methyl (3S)-6-[3,3-dimethyl-2-(2-oxobutyl)-1-cyclohexen-1-yl]-3-methylheptanoate Methyl (9R,S)-9-methyl-10-nor-8-oxo-8,9-seco-labd-5(10)-en-15-oate Methyl 3(S),6(R,S)-3,6dimethyl-6-[3,3-dimethyl-2-(3-oxo-butyl)-1-cyclohexenyl)]-hexanoate
Wiley ID 1332722