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Dimethyl [ 1R-( 1.alpha.,4a.beta.,5.beta.,6.alpha.,8a.alpha.)]-Decahydro-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl}-naphthalene-1,6-dicarboxylate

View entire compound with spectra: 1 MS (GC)

Dimethyl [ 1R-( 1.alpha.,4a.beta.,5.beta.,6.alpha.,8a.alpha.)]-Decahydro-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl}-naphthalene-1,6-dicarboxylate
SpectraBase Compound ID Bmb0csN4ec2
InChI InChI=1S/C22H36O5/c1-14(2)17(23)10-9-16-15(19(24)26-5)8-11-18-21(16,3)12-7-13-22(18,4)20(25)27-6/h14-16,18H,7-13H2,1-6H3/t15-,16+,18+,21+,22-/m1/s1
InChIKey HSVLQALMIGEQNV-ZFJHPEAWSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B19HZasgm1o
Name Dimethyl [ 1R-( 1.alpha.,4a.beta.,5.beta.,6.alpha.,8a.alpha.)]-Decahydro-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl}-naphthalene-1,6-dicarboxylate
Alternate Name(s) Dimethyl (1R,4aS,5S,6R,8aS)-1,4a-dimethyl-5-(4-methyl-3-oxopentyl)decahydro-1,6-naphthalenedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-14(2)17(23)10-9-16-15(19(24)26-5)8-11-18-21(16,3)12-7-13-22(18,4)20(25)27-6/h14-16,18H,7-13H2,1-6H3/t15-,16+,18+,21+,22-/m1/s1
InChIKey HSVLQALMIGEQNV-ZFJHPEAWSA-N
Molecular Weight 380.525 g/mol
SMILES [C@]12([C@@]([C@@](C(=O)OC)(C)CCC2)(CC[C@]([C@@]1(CCC(=O)C(C)C)[H])(C(=O)OC)[H])[H])C
SPLASH splash10-000e-3093000000-84b986df41e580ce3e1f
Source of Spectrum AH-126-1121-23
Wiley ID 1359840