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28-BETA-D-GLUCOPYRANOSYL-3-BETA,19-ALPHA,23-TRIHYDROXY-URS-12-EN-28-OATE;ROTUNGENOSIDE
SpectraBase Compound ID 4VMwM4360vB
InChI InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21?,22?,23?,24?,25?,26?,27?,28?,29?,31+,32+,33-,34-,35-,36?/m1/s1
InChIKey LARPFJIXBULVPK-LHYOJYJBSA-N
Mol Weight 650.9 g/mol
Molecular Formula C36H58O10
Exact Mass 650.402998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmyUc8Agews
Name 28-BETA-D-GLUCOPYRANOSYL-3-BETA,19-ALPHA,23-TRIHYDROXY-URS-12-EN-28-OATE;PEDUNCLOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H58O10
InChI InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21?,22?,23?,24?,25?,26?,27?,28?,29?,31+,32+,33-,34-,35-,36?/m1/s1
InChIKey LARPFJIXBULVPK-LHYOJYJBSA-N
Literature Reference Author M.NAKATANI,S.HATANAKA,H.KOMURA,T.KUBOTA,T.HASE
Literature Reference Citation BULL.CH.SOC.JAP.,62,469(1989)
Literature Reference DOI 10.1246/bcsj.62.469
Molecular Weight 650.851 g/mol
Solvent PYRIDINE-D5
Source File Reference UWED14201