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Methyl [ 1R-(1.alpha.,4a.alpha.,5.beta.,6.alpha.,8a.alpha.)]-6-bromomethyl-decahydro-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl)naphthalene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl [ 1R-(1.alpha.,4a.alpha.,5.beta.,6.alpha.,8a.alpha.)]-6-bromomethyl-decahydro-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl)naphthalene-1-carboxylate
SpectraBase Compound ID 1C38UaIpKqe
InChI InChI=1S/C21H35BrO3/c1-14(2)17(23)9-8-16-15(13-22)7-10-18-20(16,3)11-6-12-21(18,4)19(24)25-5/h14-16,18H,6-13H2,1-5H3/t15-,16-,18+,20-,21+/m0/s1
InChIKey MDUASQJBHJNSJI-ULZZIOJFSA-N
Mol Weight 415.4 g/mol
Molecular Formula C21H35BrO3
Exact Mass 414.176958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OBiYRKfBPJ
Name Methyl [ 1R-(1.alpha.,4a.alpha.,5.beta.,6.alpha.,8a.alpha.)]-6-bromomethyl-decahydro-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl)naphthalene-1-carboxylate
Alternate Name(s) Methyl (1R,4aS,5S,6R,8aR)-6-(bromomethyl)-1,4a-dimethyl-5-(4-methyl-3-oxopentyl)decahydro-1-naphthalenecarboxylate
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Formula C21H35BrO3
InChI InChI=1S/C21H35BrO3/c1-14(2)17(23)9-8-16-15(13-22)7-10-18-20(16,3)11-6-12-21(18,4)19(24)25-5/h14-16,18H,6-13H2,1-5H3/t15-,16-,18+,20-,21+/m0/s1
InChIKey MDUASQJBHJNSJI-ULZZIOJFSA-N
Molecular Weight 415.412 g/mol
SMILES [C@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CC[C@]([C@@]1(CCC(=O)C(C)C)[H])(CBr)[H])[H])C
SPLASH splash10-0006-9166000000-62343962a92be2ce8fcf
Source of Spectrum AH-126-1119-18
Wiley ID 1375308