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2,8,9-Trihydroxy-8,10-dimethyl-5-oxo-bicyclo(5.4.0)undeca-3-ene-4-carboxylic acid, tert-butyl ester 8,9-acetonide
SpectraBase Compound ID 2n71KljTXdo
InChI InChI=1S/C21H32O6/c1-11-8-12-14(21(7)17(11)25-20(5,6)27-21)10-16(23)13(9-15(12)22)18(24)26-19(2,3)4/h9,11-12,14-15,17,22H,8,10H2,1-7H3
InChIKey MRZLHCRHMGXHEI-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Dx9XUNEdLF
Name 2,8,9-Trihydroxy-8,10-dimethyl-5-oxo-bicyclo(5.4.0)undeca-3-ene-4-carboxylic acid, tert-butyl ester 8,9-acetonide
CAS Registry Number 82770-05-6
Comments CONFIGURATION 1R,2S,7R,8S,9R,10R
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-11-8-12-14(21(7)17(11)25-20(5,6)27-21)10-16(23)13(9-15(12)22)18(24)26-19(2,3)4/h9,11-12,14-15,17,22H,8,10H2,1-7H3
InChIKey MRZLHCRHMGXHEI-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