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(3aR,7aS,10aR)-4,6-Dimethyl-1-tosyl-1,2,3,4,5,7,7a,8,9,10,10a-decahydro-benzo[d]indol-3-one
SpectraBase Compound ID BKz4WgNtCVE
InChI InChI=1S/C21H27NO3S/c1-14-7-9-18(10-8-14)26(24,25)22-13-20(23)21-16(3)11-15(2)12-17(21)5-4-6-19(21)22/h7-11,16-17,19H,4-6,12-13H2,1-3H3/t16?,17-,19+,21-/m0/s1
InChIKey ISVGKLADHQDPLO-WXYNCGNLSA-N
Mol Weight 373.51 g/mol
Molecular Formula C21H27NO3S
Exact Mass 373.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SdXFrFuhqQ
Name (3aR,7aS,10aR)-4,6-Dimethyl-1-tosyl-1,2,3,4,5,7,7a,8,9,10,10a-decahydro-benzo[d]indol-3-one
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Formula C21H27NO3S
InChI InChI=1S/C21H27NO3S/c1-14-7-9-18(10-8-14)26(24,25)22-13-20(23)21-16(3)11-15(2)12-17(21)5-4-6-19(21)22/h7-11,16-17,19H,4-6,12-13H2,1-3H3/t16?,17-,19+,21-/m0/s1
InChIKey ISVGKLADHQDPLO-WXYNCGNLSA-N
Molecular Weight 373.511 g/mol
SMILES [C@@]12(N(S(c3ccc(C)cc3)(=O)=O)CC([C@]11C(C=C(C[C@]1([H])CCC2)C)C)=O)[H]
SPLASH splash10-03xu-5940000000-c7ffc7d298b6c288a1eb
Source of Spectrum F5-6-3132-32a
Synonyms 4,6-Dimethyl-1-tosyl-1,2,3,4,5,8,8a,9,10,10a-decahydro-benzo[d]indol-3-one (3aR,6aS,10aR)-8,10-dimethyl-3-tosyl-2,3,3a,4,5,6,6a,7-octahydrobenzo[d]indol-1(10H)-one
Wiley ID 1733561