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Carbonodithioic acid, O-[[1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]S-methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Carbonodithioic acid, O-[[1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]S-methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
SpectraBase Compound ID IyUZuRdGDY1
InChI InChI=1S/C22H34OS2/c1-15(2)16-7-9-18-17(13-16)8-10-19-21(3,14-23-20(24)25-5)11-6-12-22(18,19)4/h8,13,15,18-19H,6-7,9-12,14H2,1-5H3/t18-,19-,21-,22+/m0/s1
InChIKey VDPFFLYREJOJPY-BLKABHOGSA-N
Mol Weight 378.6 g/mol
Molecular Formula C22H34OS2
Exact Mass 378.205108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GO4vKM1NF0v
Name Carbonodithioic acid, o-[[1,2,3,4,4A,4B,5,6,10,10A-decahydro-1,4A-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]S-methyl ester, [1R-(1.alpha.,4A.beta.,4B.alpha.,10A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.205108062 u
Formula C22H34OS2
InChI InChI=1S/C22H34OS2/c1-15(2)16-7-9-18-17(13-16)8-10-19-21(3,14-23-20(24)25-5)11-6-12-22(18,19)4/h8,13,15,18-19H,6-7,9-12,14H2,1-5H3/t18-,19-,21-,22+/m0/s1
InChIKey VDPFFLYREJOJPY-BLKABHOGSA-N
Molecular Weight 378.633 g/mol
SMILES [C@]12([C@@]3(C(C=C(CC3)C(C)C)=CC[C@]1([C@@](COC(=S)SC)(C)CCC2)[H])[H])C