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(2S,3S,3aR,5aS,9aS,9bR)-2,3a,6,6,9a-pentamethyl-2-(1-oxo-1,3-dithiolan-2-yl)-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carboxaldehyde
SpectraBase Compound ID 2OtlewbCg1P
InChI InChI=1S/C22H36O2S2/c1-19(2)8-6-9-20(3)15(19)7-10-21(4)16(20)13-22(5,17(21)14-23)18-25-11-12-26(18)24/h14-18H,6-13H2,1-5H3/t15-,16+,17-,18?,20-,21+,22-,26?/m0/s1
InChIKey GVZAIWYILSRXLE-SZIWHACOSA-N
Mol Weight 396.6 g/mol
Molecular Formula C22H36O2S2
Exact Mass 396.215673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLE69pJKGHH
Name (2S,3S,3aR,5aS,9aS,9bR)-2,3a,6,6,9a-pentamethyl-2-(1-oxo-1,3-dithiolan-2-yl)-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carboxaldehyde
Alternate Name(s) (2S,3S,3aR,5aS,9aS,9bR)-2,3a,6,6,9a-pentamethyl-2-(1-oxo-1,3-dithiolan-2-yl)-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carbaldehyde (2S,3S,3aR,5aS,9aS,9bR)-2,3a,6,6,9a-pentamethyl-2-(1-oxidanylidene-1,3-dithiolan-2-yl)-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carbaldehyde 13S-11(12-13)-abeo-12-(2-Oxo)ethylenedithia-15-isoanticopalal
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Formula C22H36O2S2
InChI InChI=1S/C22H36O2S2/c1-19(2)8-6-9-20(3)15(19)7-10-21(4)16(20)13-22(5,17(21)14-23)18-25-11-12-26(18)24/h14-18H,6-13H2,1-5H3/t15-,16+,17-,18?,20-,21+,22-,26?/m0/s1
InChIKey GVZAIWYILSRXLE-SZIWHACOSA-N
Molecular Weight 396.648 g/mol
SMILES [C@]1(C2S(=O)CCS2)([C@]([C@@]2(CC[C@@]3([C@@]([C@]2(C1)[H])(CCCC3(C)C)C)[H])C)(C=O)[H])C
SPLASH splash10-053r-9602000000-71119397e4436ff61874
Source of Spectrum C5-2002-1526-6
Wiley ID 1614780