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(2S,3S,3aR,5aS,9aS,9bR)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester
SpectraBase Compound ID 5CtXjFhjy93
InChI InChI=1S/C23H38O2S2/c1-20(2)9-7-10-21(3)15(20)8-11-22(4)16(21)14-23(5,17(22)18(24)25-6)19-26-12-13-27-19/h15-17,19H,7-14H2,1-6H3/t15-,16+,17-,21-,22+,23-/m0/s1
InChIKey XIGCWCNAMQCUGK-SOFXYDETSA-N
Mol Weight 410.7 g/mol
Molecular Formula C23H38O2S2
Exact Mass 410.231323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MrxtCJJ33t
Name (2S,3S,3aR,5aS,9aS,9bR)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O2S2
InChI InChI=1S/C23H38O2S2/c1-20(2)9-7-10-21(3)15(20)8-11-22(4)16(21)14-23(5,17(22)18(24)25-6)19-26-12-13-27-19/h15-17,19H,7-14H2,1-6H3/t15-,16+,17-,21-,22+,23-/m0/s1
InChIKey XIGCWCNAMQCUGK-SOFXYDETSA-N
Molecular Weight 410.675 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@]([C@]1(C(=O)OC)[H])(C1SCCS1)C)[H])C
SPLASH splash10-0a90-7901000000-a45e01434a4b8b45b0aa
Source of Spectrum C5-2002-1525-3
Synonyms Methyl (2S,3S,3aR,5aS,9aS,9bR)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carboxylate Methyl 13S-11(12-13)-abeo-12-Ethylenedithiaisoanticopal-15-oate
Wiley ID 1614783