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(1S,2R,5S)-BENZENECARBOTHIOIC-ACID-S-[4-METHYL-2-[(1R)-NAPHTH-2-YL-ETHOXY]-3-OXO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER

View entire compound with spectra: 1 NMR

(1S,2R,5S)-BENZENECARBOTHIOIC-ACID-S-[4-METHYL-2-[(1R)-NAPHTH-2-YL-ETHOXY]-3-OXO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
SpectraBase Compound ID 5n7nN5bqPdq
InChI InChI=1S/C27H24O4S/c1-16-24(28)26(30-17(2)20-13-12-18-8-6-7-11-21(18)14-20)22-15-23(25(16)31-22)32-27(29)19-9-4-3-5-10-19/h3-17,22,25-26H,1-2H3/t16-,17-,22+,25+,26-/m1/s1
InChIKey ALWXTYDWZSAJJO-GFPFERCKSA-N
Mol Weight 444.55 g/mol
Molecular Formula C27H24O4S
Exact Mass 444.13953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSXkQWq4ZMm
Name (1S,2R,5S)-BENZENECARBOTHIOIC-ACID-S-[4-METHYL-2-[(1R)-NAPHTH-2-YL-ETHOXY]-3-OXO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24O4S
InChI InChI=1S/C27H24O4S/c1-16-24(28)26(30-17(2)20-13-12-18-8-6-7-11-21(18)14-20)22-15-23(25(16)31-22)32-27(29)19-9-4-3-5-10-19/h3-17,22,25-26H,1-2H3/t16-,17-,22+,25+,26-/m1/s1
InChIKey ALWXTYDWZSAJJO-GFPFERCKSA-N
Literature Reference Author H.BECK,C.B.W.STARK,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,2,883(2000)
Literature Reference DOI 10.1021/ol991386p
Molecular Weight 444.545 g/mol
Solvent CDCl3
Source File Reference UWLU33419