(1S,2R,6S)-2-[2-(1-Tosylbenzo[b]pyrrol-2-yl)ethyl]-1,7,7-trimethylbicyclo[4.4.0]decan-3-one isomer

SpectraBase Compound ID	GvN4enrWxpj
InChI	InChI=1S/C30H37NO3S/c1-21-10-13-24(14-11-21)35(33,34)31-23(20-22-8-5-6-9-26(22)31)12-15-25-27(32)16-17-28-29(2,3)18-7-19-30(25,28)4/h5-6,8-11,13-14,20,25,28H,7,12,15-19H2,1-4H3/t25-,28-,30+/m0/s1
InChIKey	MLYITEFNMXKQLT-QPLJZLFBSA-N Google Search
Mol Weight	491.7 g/mol
Molecular Formula	C30H37NO3S
Exact Mass	491.249415 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	BQa9jUBrAMV
Name	(1S,2R,6S)-2-[2-(1-Tosylbenzo[b]pyrrol-2-yl)ethyl]-1,7,7-trimethylbicyclo[4.4.0]decan-3-one isomer
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H37NO3S
InChI	InChI=1S/C30H37NO3S/c1-21-10-13-24(14-11-21)35(33,34)31-23(20-22-8-5-6-9-26(22)31)12-15-25-27(32)16-17-28-29(2,3)18-7-19-30(25,28)4/h5-6,8-11,13-14,20,25,28H,7,12,15-19H2,1-4H3/t25-,28-,30+/m0/s1
InChIKey	MLYITEFNMXKQLT-QPLJZLFBSA-N
Molecular Weight	491.690 g/mol
SMILES	c1([n](S(c2ccc(cc2)C)(=O)=O)c2c(c1)cccc2)CC[C@@]1([C@@]2([C@@](C(C)(C)CCC2)([H])CCC1=O)C)[H]
SPLASH	splash10-000i-6958000000-f24dc25c386096f20389
Source of Spectrum	QE-11-3666-29
Synonyms	(1R,4aS,8aS)-5,5,8a-trimethyl-1-(2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}ethyl)octahydro-2(1H)-naphthalenone 2-[2-(5-Tosylbenzo[b]pyrrol-6-yl)ethyl]-1,7,7-trimethylbicyclo[4.4.0]decan-3-one isomer
Wiley ID	1638892