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(7R)-3,10,11-Trihydroxy-9,11-dimethyl-bicyclo(5.4.0)undeca-3,5-diene-4-carboxylic acid, tert-butyl ester 10,11-acetonide
SpectraBase Compound ID 5xvCOGGWgSp
InChI InChI=1S/C21H32O5/c1-12-10-13-8-9-14(18(23)25-19(2,3)4)16(22)11-15(13)21(7)17(12)24-20(5,6)26-21/h8-9,12-13,15,17,22H,10-11H2,1-7H3
InChIKey MYAGCTPERGDQOH-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DvJgkMTTRr
Name (7S)-3,10,11-Trihydroxy-9,11-dimethyl-bicyclo(5.4.0)undeca-3,5-diene-4-carboxylic acid, tert-butyl ester 10,11-acetonide
CAS Registry Number 82796-50-7
Comments CONFIGURATION 1R,9R,10R,11S
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-12-10-13-8-9-14(18(23)25-19(2,3)4)16(22)11-15(13)21(7)17(12)24-20(5,6)26-21/h8-9,12-13,15,17,22H,10-11H2,1-7H3
InChIKey MYAGCTPERGDQOH-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference S.G. Pyne, D.C. Spellmeyer, S.Chen, J. Am. Chem. Soc. 104, 5728 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3