![BIDENTATOSIDE-II;3-O-BETA-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/JQuC9DxojFt/structure.png?h=300&w=458 "BIDENTATOSIDE-II;3-O-BETA-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 8QbRtOvCrBH |
|---|---|
| InChI | InChI=1S/C40H62O13/c1-35(2)14-16-40(34(49)53-32-30(46)29(45)28(44)23(19-41)51-32)17-15-38(6)21(22(40)18-35)8-9-25-37(5)12-11-26(52-33(31(47)48)50-20-27(42)43)36(3,4)24(37)10-13-39(25,38)7/h8,22-26,28-30,32-33,41,44-46H,9-20H2,1-7H3,(H,42,43)(H,47,48)/t22-,23+,24-,25+,26-,28+,29-,30+,32-,33-,37-,38+,39+,40-/m0/s1 |
| InChIKey | FDBQAHJAKLTDEC-UBBKOKMRSA-N |
| Mol Weight | 750.9 g/mol |
| Molecular Formula | C40H62O13 |
| Exact Mass | 750.419042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQuC9DxojFt |
|---|---|
| Name | BIDENTATOSIDE-II;3-O-BETA-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O13 |
| InChI | InChI=1S/C40H62O13/c1-35(2)14-16-40(34(49)53-32-30(46)29(45)28(44)23(19-41)51-32)17-15-38(6)21(22(40)18-35)8-9-25-37(5)12-11-26(52-33(31(47)48)50-20-27(42)43)36(3,4)24(37)10-13-39(25,38)7/h8,22-26,28-30,32-33,41,44-46H,9-20H2,1-7H3,(H,42,43)(H,47,48)/t22-,23+,24-,25+,26-,28+,29-,30+,32-,33-,37-,38+,39+,40-/m0/s1 |
| InChIKey | FDBQAHJAKLTDEC-UBBKOKMRSA-N |
| Literature Reference Author | A.C.MITAINE-OFFER,A.MAROUF,B.HANQUET,N.BIRLIRAKIS,M.A.LACAIL LE-DUBOIS |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1492(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1492 |
| Molecular Weight | 750.924 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN29077 |