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2-[[(1R,3aR,4S,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole

View entire compound with spectra: 1 MS (GC)

2-[[(1R,3aR,4S,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole
SpectraBase Compound ID 8s8jE9ssSfY
InChI InChI=1S/C26H37NO2S2/c1-17(2)18(3)12-13-19(4)20-14-15-21-24(11-8-16-26(20,21)5)31(28,29)25-27-22-9-6-7-10-23(22)30-25/h6-7,9-10,12-13,17-21,24H,8,11,14-16H2,1-5H3/b13-12+/t18-,19+,20+,21-,24-,26+/m0/s1
InChIKey QNFGSZGVGWKJNR-REIFOOMWSA-N
Mol Weight 459.7 g/mol
Molecular Formula C26H37NO2S2
Exact Mass 459.226572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QH5bIPMifT
Name 2-[[(1R,3aR,4S,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37NO2S2
InChI InChI=1S/C26H37NO2S2/c1-17(2)18(3)12-13-19(4)20-14-15-21-24(11-8-16-26(20,21)5)31(28,29)25-27-22-9-6-7-10-23(22)30-25/h6-7,9-10,12-13,17-21,24H,8,11,14-16H2,1-5H3/b13-12+/t18-,19+,20+,21-,24-,26+/m0/s1
InChIKey QNFGSZGVGWKJNR-REIFOOMWSA-N
Molecular Weight 459.707 g/mol
SMILES c1(S([C@@]2([C@]3([C@]([C@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])([H])CC3)(C)CCC2)[H])[H])(=O)=O)nc2ccccc2s1
SPLASH splash10-0gw0-0797100000-9ad5b5581ad04c15906f
Source of Spectrum SO-0-1213-2
Synonyms 2-[[(1R,3aR,4S,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole
Wiley ID 876896