4-(Bromomethylene)-7a-methyl-1-[(1S)-1'-methyl-2'-[p-toluenesulfonyloxy)ethyl]-perhydroindene

SpectraBase Compound ID	3fRkXfxD5Iv
InChI	InChI=1S/C21H29BrO3S/c1-15-6-8-18(9-7-15)26(23,24)25-14-16(2)19-10-11-20-17(13-22)5-4-12-21(19,20)3/h6-9,13,16,19-20H,4-5,10-12,14H2,1-3H3/b17-13+/t16-,19-,20+,21-/m1/s1
InChIKey	AZALKEGVNDVWOI-LGGVZGNTSA-N Google Search
Mol Weight	441.42 g/mol
Molecular Formula	C21H29BrO3S
Exact Mass	440.102079 g/mol

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SpectraBase Spectrum ID	H8VUSCB6GXC
Name	4-(Bromomethylene)-7a-methyl-1-[(1S)-1'-methyl-2'-[p-toluenesulfonyloxy)ethyl]-perhydroindene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H29BrO3S
InChI	InChI=1S/C21H29BrO3S/c1-15-6-8-18(9-7-15)26(23,24)25-14-16(2)19-10-11-20-17(13-22)5-4-12-21(19,20)3/h6-9,13,16,19-20H,4-5,10-12,14H2,1-3H3/b17-13+/t16-,19-,20+,21-/m1/s1
InChIKey	AZALKEGVNDVWOI-LGGVZGNTSA-N
Molecular Weight	441.424 g/mol
SMILES	C(OS(c1ccc(cc1)C)(=O)=O)[C@]([C@@]1([C@@]2([C@@](\C(=C\Br)CCC2)([H])CC1)C)[H])(C)[H]
SPLASH	splash10-0006-4443900000-526a5c9102da6a0cfded
Source of Spectrum	F5-1-4398-5
Synonyms	Toluene-4-sulfonic acid (S)-2-{(1R,3aR,7aR)-4-[1-bromo-meth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propyl ester (S)-2-((1R,3aR,7aR,E)-4-(bromomethylene)-7a-methyloctahydro-1H-inden-1-yl)propyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2S)-2-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] ester [(2S)-2-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 4-methylbenzenesulfonate [(2S)-2-[(1R,3aR,4E,7aR)-4-(bromomethylene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 4-methylbenzenesulfonate [(2S)-2-[(1R,3aR,4E,7aR)-4-(bromanylmethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 4-methylbenzenesulfonate
Wiley ID	1731609