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(1S,3R,4A-S)-4-[(3-E)-5-(BENZOTHIAZOL-2-YL)-SULFONYL-3-METHYLPENTA-1,3-DIENYLIDENE]-3-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE

View entire compound with spectra: 1 NMR

(1S,3R,4A-S)-4-[(3-E)-5-(BENZOTHIAZOL-2-YL)-SULFONYL-3-METHYLPENTA-1,3-DIENYLIDENE]-3-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE
SpectraBase Compound ID H6Y2PoAAM6A
InChI InChI=1S/C24H29NO5S2/c1-16(12-13-32(28,29)22-25-19-8-6-7-9-20(19)31-22)10-11-21-23(3,4)14-18(30-17(2)26)15-24(21,5)27/h6-10,12,18,27H,13-15H2,1-5H3/b16-12+/t11?,18-,24+/m0/s1
InChIKey GJQRFQFXKMKPAA-QNMPFLRVSA-N
Mol Weight 475.62 g/mol
Molecular Formula C24H29NO5S2
Exact Mass 475.148715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CISFp6UY5Qt
Name (1S,3R,4A-S)-4-[(3-E)-5-(BENZOTHIAZOL-2-YL)-SULFONYL-3-METHYLPENTA-1,3-DIENYLIDENE]-3-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE
Compound Number 5-(4A-S)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29NO5S2
InChI InChI=1S/C24H29NO5S2/c1-16(12-13-32(28,29)22-25-19-8-6-7-9-20(19)31-22)10-11-21-23(3,4)14-18(30-17(2)26)15-24(21,5)27/h6-10,12,18,27H,13-15H2,1-5H3/b16-12+/t11?,18-,24+/m0/s1
InChIKey GJQRFQFXKMKPAA-QNMPFLRVSA-N
Literature Reference Author B.VAZ,R.ALVAREZ,R.BRUECKNER,A.R.D.LERA
Literature Reference Citation ORG.LETTERS,7,545(2005)
Literature Reference DOI 10.1021/ol0478281
Molecular Weight 475.618 g/mol
Sample ID 42127
Solvent CDCl3