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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-carboxaldehyde

View entire compound with spectra: 2 MS (GC)

(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-carboxaldehyde
SpectraBase Compound ID 90dkDuWGF1h
InChI InChI=1S/C22H36OS2/c1-19(2)8-6-9-20(3)15(19)7-10-21(4)16(20)13-22(5,17(21)14-23)18-24-11-12-25-18/h14-18H,6-13H2,1-5H3/t15-,16+,17-,20-,21+,22-/m0/s1
InChIKey CFPKCJHWZAQYDU-MNJVBOLNSA-N
Mol Weight 380.6 g/mol
Molecular Formula C22H36OS2
Exact Mass 380.220758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4c9ni1B9Ih
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-carboxaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36OS2
InChI InChI=1S/C22H36OS2/c1-19(2)8-6-9-20(3)15(19)7-10-21(4)16(20)13-22(5,17(21)14-23)18-24-11-12-25-18/h14-18H,6-13H2,1-5H3/t15-,16+,17-,20-,21+,22-/m0/s1
InChIKey CFPKCJHWZAQYDU-MNJVBOLNSA-N
Molecular Weight 380.649 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@]([C@]1(C=O)[H])(C1SCCS1)C)[H])C
SPLASH splash10-0udi-0729000000-c49b743e3d9a4a8327ef
Source of Spectrum SO-0-1526-5
Synonyms (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-carbaldehyde 13S-11(12-13)-abeo-12-Ethylenedithia-15-isoanticopalal
Wiley ID 865112