| SpectraBase Compound ID | 9dQqNUafqrn |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-21-7-13-46-20-60-47(38(46)22(21)2)14-9-27-42(3)11-10-29(43(4,19-50)26(42)8-12-44(27,5)45(47,6)15-28(46)52)63-40-36(33(56)31(54)24(16-48)61-40)65-41-37(34(57)32(55)25(17-49)62-41)64-39-35(58)30(53)23(51)18-59-39/h9,14,21-41,48-58H,7-8,10-13,15-20H2,1-6H3/t21-,22+,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1 |
| InChIKey | CAJPMUBOHPLZJI-QCFSWJKPSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C47H76O18 |
| Exact Mass | 928.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1tdel9EvcU |
|---|---|
| Name | ROTUNDIFOLIOSIDE-G;#7;13-BETA,28-EPOXY-16-ALPHA,23-DIHYDROXY-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 | C47H76O18 |
| InChI | InChI=1S/C47H76O18/c1-21-7-13-46-20-60-47(38(46)22(21)2)14-9-27-42(3)11-10-29(43(4,19-50)26(42)8-12-44(27,5)45(47,6)15-28(46)52)63-40-36(33(56)31(54)24(16-48)61-40)65-41-37(34(57)32(55)25(17-49)62-41)64-39-35(58)30(53)23(51)18-59-39/h9,14,21-41,48-58H,7-8,10-13,15-20H2,1-6H3/t21-,22+,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1 |
| InChIKey | CAJPMUBOHPLZJI-QCFSWJKPSA-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 | 929.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21214 |