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{[(3S,4S,7R,8S)-1-OXO-3,7-DIMETHYL-4-(O-BETA-D-GLUCOPYRANOSYL)-OXY]-HEXAHYDROCYCLOPENTA-[C]-FURAN-3-YL}-METHYL-TRANS-4-HYDROXYCINNAMATE

View entire compound with spectra: 1 NMR

{[(3S,4S,7R,8S)-1-OXO-3,7-DIMETHYL-4-(O-BETA-D-GLUCOPYRANOSYL)-OXY]-HEXAHYDROCYCLOPENTA-[C]-FURAN-3-YL}-METHYL-TRANS-4-HYDROXYCINNAMATE
SpectraBase Compound ID ExomDOtfS8o
InChI InChI=1S/C25H32O11/c1-13-9-10-25(36-23-21(31)20(30)19(29)16(11-26)34-23)18(13)22(32)35-24(25,2)12-33-17(28)8-5-14-3-6-15(27)7-4-14/h3-8,13,16,18-21,23,26-27,29-31H,9-12H2,1-2H3/b8-5+/t13-,16-,18-,19-,20+,21-,23+,24+,25+/m1/s1
InChIKey IGNQRMRCOMCSHG-PULYKJFRSA-N
Mol Weight 508.5 g/mol
Molecular Formula C25H32O11
Exact Mass 508.194462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQf7Zs9pjGC
Name {[(3S,4S,7R,8S)-1-OXO-3,7-DIMETHYL-4-(O-BETA-D-GLUCOPYRANOSYL)-OXY]-HEXAHYDROCYCLOPENTA-[C]-FURAN-3-YL}-METHYL-TRANS-4-HYDROXYCINNAMATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O11
InChI InChI=1S/C25H32O11/c1-13-9-10-25(36-23-21(31)20(30)19(29)16(11-26)34-23)18(13)22(32)35-24(25,2)12-33-17(28)8-5-14-3-6-15(27)7-4-14/h3-8,13,16,18-21,23,26-27,29-31H,9-12H2,1-2H3/b8-5+/t13-,16-,18-,19-,20+,21-,23+,24+,25+/m1/s1
InChIKey IGNQRMRCOMCSHG-PULYKJFRSA-N
Literature Reference Author J.GLASER,M.SCHULTHEIS,H.MOLL,B.HAZRA,U.HOLZGRABE
Literature Reference Citation MOLECULES,20,5740(2015)
Literature Reference DOI 10.3390/molecules20045740
Molecular Weight 508.522 g/mol
Solvent CDCl3
Source File Reference UWPA3065