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4,6-Dihydroxy-5,6-dimethyl-7-ethyl-3-(5-phenylsulfinyl-(E,E)-penta-1,3-dien-1-yl)-1(S,R)-2,8-dioxa-bicyclo(3.3.0)octane
SpectraBase Compound ID 90Lb49PK9XM
InChI InChI=1S/C21H28O5S/c1-4-17-21(3,23)20(2)18(22)16(25-19(20)26-17)13-9-6-10-14-27(24)15-11-7-5-8-12-15/h5-13,16-19,22-23H,4,14H2,1-3H3/b10-6+,13-9+
InChIKey WNCMVMWGKUTBEC-LMZONGNASA-N
Mol Weight 392.51 g/mol
Molecular Formula C21H28O5S
Exact Mass 392.165745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GK6HGVlVyVG
Name 4,6-Dihydroxy-5,6-dimethyl-7-ethyl-3-(5-phenylsulfinyl-(E,E)-penta-1,3-dien-1-yl)-1(S,R)-2,8-dioxa-bicyclo(3.3.0)octane
Comments 3(R,S),4(R,S),5(R,S),6(R,S),7(R,S) REASSIGNED (A.H.)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H28O5S
InChI InChI=1S/C21H28O5S/c1-4-17-21(3,23)20(2)18(22)16(25-19(20)26-17)13-9-6-10-14-27(24)15-11-7-5-8-12-15/h5-13,16-19,22-23H,4,14H2,1-3H3/b10-6+,13-9+
InChIKey WNCMVMWGKUTBEC-LMZONGNASA-N
Literature Reference S.L. Schreiber, K. Satake, J. Am. Chem. Soc. 106, 4186 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3