For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(EPI)-(3R,4S)-METHYL-1,4,8-TRIHYDROXY-3-METHYL-9-OXO-3,4,4A,9-TETRAHYDRO-2H-XANTHENE-4A-CARBOXYLATE;MAIN-EPIMER
SpectraBase Compound ID 5oYqKa0zORZ
InChI InChI=1S/C16H16O7/c1-7-6-9(18)12-13(19)11-8(17)4-3-5-10(11)23-16(12,14(7)20)15(21)22-2/h3-5,7,14,17-18,20H,6H2,1-2H3/t7-,14+,16?/m1/s1
InChIKey ATHNLXHYQREKCC-ZEORTUBHSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3pyFNiOMTdB
Name (EPI)-(3R,4S)-METHYL-1,4,8-TRIHYDROXY-3-METHYL-9-OXO-3,4,4A,9-TETRAHYDRO-2H-XANTHENE-4A-CARBOXYLATE;MAIN-EPIMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-7-6-9(18)12-13(19)11-8(17)4-3-5-10(11)23-16(12,14(7)20)15(21)22-2/h3-5,7,14,17-18,20H,6H2,1-2H3/t7-,14+,16?/m1/s1
InChIKey ATHNLXHYQREKCC-ZEORTUBHSA-N
Literature Reference Author A.C.MEISTER,A.ENCINAS,H.SAHIN,E.M.C.SINGER,C.F.NISING,M.NIEG ER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,4861(2014)
Literature Reference DOI 10.1002/ejoc.201402083
Molecular Weight 320.299 g/mol
Solvent CDCl3
Source File Reference UWIR19903