| SpectraBase Compound ID | H0hDcqEnqxP |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-43(5)12-11-29(42(3,4)26(43)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)31(53)24(17-48)60-40)64-41-37(34(56)32(54)25(18-49)61-41)63-39-35(57)30(52)23(50)19-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,43+,44-,45+,46+,47+/m1/s1 |
| InChIKey | OERYSJKYOLNHAD-NCFQBMSRSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35NCKLj8mdj |
|---|---|
| Name | ROTUNDIFOLIOSIDE-A;#5;13-BETA,28-EPOXY-16-ALPHA-HYDROXY-URS-11-EN-3-BETA-YL-BETA-D-XYLOPARANOYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-43(5)12-11-29(42(3,4)26(43)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)31(53)24(17-48)60-40)64-41-37(34(56)32(54)25(18-49)61-41)63-39-35(57)30(52)23(50)19-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,43+,44-,45+,46+,47+/m1/s1 |
| InChIKey | OERYSJKYOLNHAD-NCFQBMSRSA-N |
| Literature Reference Author | T.FUJIOKA,K.YOSHIDA,H.FUJII,T.NAGAO,H.OKABE,K.MIHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,365(2003) |
| Literature Reference DOI | 10.1248/cpb.51.365 |
| Molecular Weight | 913.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21212 |