Avarol-4'-[thio(benzothiazole)]

SpectraBase Compound ID	2hkCwAAPdn7
InChI	InChI=1S/C28H33NO2S2/c1-17-8-7-11-25-27(17,3)13-12-18(2)28(25,4)16-19-14-22(31)24(15-21(19)30)33-26-29-20-9-5-6-10-23(20)32-26/h5-6,8-10,14-15,18,25,30-31H,7,11-13,16H2,1-4H3/t18-,25+,27+,28+/m0/s1
InChIKey	VPPOPDFUCZOXCG-FSUXMIEUSA-N Google Search
Mol Weight	479.7 g/mol
Molecular Formula	C28H33NO2S2
Exact Mass	479.195272 g/mol

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SpectraBase Spectrum ID	B00QFcaJq9H
Name	Avarol-4'-[thio(benzothiazole)]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H33NO2S2
InChI	InChI=1S/C28H33NO2S2/c1-17-8-7-11-25-27(17,3)13-12-18(2)28(25,4)16-19-14-22(31)24(15-21(19)30)33-26-29-20-9-5-6-10-23(20)32-26/h5-6,8-10,14-15,18,25,30-31H,7,11-13,16H2,1-4H3/t18-,25+,27+,28+/m0/s1
InChIKey	VPPOPDFUCZOXCG-FSUXMIEUSA-N
Molecular Weight	479.697 g/mol
SMILES	Oc1cc(c(cc1Sc1nc2ccccc2s1)O)C[C@]1([C@]2([C@](C(=CCC2)C)(C)CC[C@@]1(C)[H])[H])C
SPLASH	splash10-000b-9620100000-ac8e3a781eb2423f4a5d
Source of Spectrum	G4-71-1852-9
Synonyms	2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(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]-5-(1,3-benzothiazol-2-ylsulfanyl)benzene-1,4-diol
Wiley ID	1695224