| 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
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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 |