| SpectraBase Compound ID | DbkPkgm1ePJ |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-20-21(2)38-46(15-23(20)49)19-59-47(38)14-10-27-43(6)12-11-29(42(4,5)26(43)9-13-44(27,7)45(47,8)16-28(46)51)62-40-36(33(55)30(52)22(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,14,20-41,48-57H,9,11-13,15-19H2,1-8H3/t20-,21-,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-/m0/s1 |
| InChIKey | UVDSCNQFLTZJMF-CTTUVXMPSA-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 | H6OVvgu2mpi |
|---|---|
| Name | ROTUNDIFOLIOSIDE-E;#8;13-BETA,28-EPOXY-16-ALPHA,21-BETA-DIHYDROXY-URS-11-EN-3-BETA-YL-BETA-D-XYLOPARANOYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-20-21(2)38-46(15-23(20)49)19-59-47(38)14-10-27-43(6)12-11-29(42(4,5)26(43)9-13-44(27,7)45(47,8)16-28(46)51)62-40-36(33(55)30(52)22(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,14,20-41,48-57H,9,11-13,15-19H2,1-8H3/t20-,21-,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-/m0/s1 |
| InChIKey | UVDSCNQFLTZJMF-CTTUVXMPSA-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 | UWMS21215 |