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 |