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2-[(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]naphthalen-3-yl]acetaldehyde

View entire compound with spectra: 1 MS (GC)

2-[(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]naphthalen-3-yl]acetaldehyde
SpectraBase Compound ID E0nLKHyY70c
InChI InChI=1S/C23H38OS2/c1-20(2)9-6-10-21(3)16(20)7-11-22(4)17(8-12-24)23(5,15-18(21)22)19-25-13-14-26-19/h12,16-19H,6-11,13-15H2,1-5H3/t16-,17-,18+,21-,22-,23-/m0/s1
InChIKey BFEHHCBKTKPEBU-ZNNMUCEXSA-N
Mol Weight 394.7 g/mol
Molecular Formula C23H38OS2
Exact Mass 394.236408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51QCQDetw4b
Name 2-[(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]naphthalen-3-yl]acetaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38OS2
InChI InChI=1S/C23H38OS2/c1-20(2)9-6-10-21(3)16(20)7-11-22(4)17(8-12-24)23(5,15-18(21)22)19-25-13-14-26-19/h12,16-19H,6-11,13-15H2,1-5H3/t16-,17-,18+,21-,22-,23-/m0/s1
InChIKey BFEHHCBKTKPEBU-ZNNMUCEXSA-N
Molecular Weight 394.676 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@]([C@]1(CC=O)[H])(C1SCCS1)C)[H])C
SPLASH splash10-052b-0890000000-58ea4b381d6d7df12e70
Source of Spectrum C5-2002-1527-8
Synonyms 2-[(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]naphthalen-3-yl]ethanal 15a-homo-13S-11(12-13)-abeo-12-Ethylenedithia-15-isoanticopalal
Wiley ID 1614778