Avarol-3'-[thio(benzothiazole)]

SpectraBase Compound ID	J4I7wE6W4j9
InChI	InChI=1S/C28H33NO2S2/c1-17-8-7-11-24-27(17,3)13-12-18(2)28(24,4)16-19-14-20(30)15-23(25(19)31)33-26-29-21-9-5-6-10-22(21)32-26/h5-6,8-10,14-15,18,24,30-31H,7,11-13,16H2,1-4H3/t18-,24+,27+,28+/m0/s1
InChIKey	YPIJUFYXFHJDPD-JWNPUDRZSA-N Google Search
Mol Weight	479.7 g/mol
Molecular Formula	C28H33NO2S2
Exact Mass	479.195272 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4pAJeDUFU2P
Name	Avarol-3'-[thio(benzothiazole)]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H33NO2S2
InChI	InChI=1S/C28H33NO2S2/c1-17-8-7-11-24-27(17,3)13-12-18(2)28(24,4)16-19-14-20(30)15-23(25(19)31)33-26-29-21-9-5-6-10-22(21)32-26/h5-6,8-10,14-15,18,24,30-31H,7,11-13,16H2,1-4H3/t18-,24+,27+,28+/m0/s1
InChIKey	YPIJUFYXFHJDPD-JWNPUDRZSA-N
Molecular Weight	479.697 g/mol
SMILES	Oc1cc(c(c(c1)Sc1nc2ccccc2s1)O)C[C@]1([C@]2([C@](C(=CCC2)C)(C)CC[C@@]1(C)[H])[H])C
SPLASH	splash10-000b-9720100000-ccdb5f25fd68e5765e96
Source of Spectrum	G4-71-1852-8
Synonyms	2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(1,3-benzothiazol-2-ylthio)benzene-1,4-diol 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(1,3-benzothiazol-2-ylsulfanyl)benzene-1,4-diol
Wiley ID	1695225