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(2R)-2-Benzoyloxy-8,9-dihydroxy-8,10-dime-5-oxo-bicyclo(5.4.0)undec-3-ene-4-carboxylic acid, tert-butyl ester 8,9-acetonide

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(2R)-2-Benzoyloxy-8,9-dihydroxy-8,10-dime-5-oxo-bicyclo(5.4.0)undec-3-ene-4-carboxylic acid, tert-butyl ester 8,9-acetonide
SpectraBase Compound ID 8UQvU4RHozY
InChI InChI=1S/C28H36O7/c1-16-13-18-20(28(7)23(16)33-27(5,6)35-28)15-21(29)19(25(31)34-26(2,3)4)14-22(18)32-24(30)17-11-9-8-10-12-17/h8-12,14,16,18,20,22-23H,13,15H2,1-7H3
InChIKey NMCKBKVDMGEEHV-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C28H36O7
Exact Mass 484.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBub3K2Es5J
Name (2S)-2-Benzoyloxy-8,9-dihydroxy-8,10-dime-5-oxo-bicyclo(5.4.0)undec-3-ene-4-carboxylic acid, tert-butyl ester 8,9-acetonide
CAS Registry Number 82796-51-8
Comments CONFIGURATION 1S,7R,8S,9R,10R
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H36O7
InChI InChI=1S/C28H36O7/c1-16-13-18-20(28(7)23(16)33-27(5,6)35-28)15-21(29)19(25(31)34-26(2,3)4)14-22(18)32-24(30)17-11-9-8-10-12-17/h8-12,14,16,18,20,22-23H,13,15H2,1-7H3
InChIKey NMCKBKVDMGEEHV-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