| SpectraBase Compound ID | ICVQtShqSOK |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-20-10-15-48(43(60)61)17-16-46(6)22(28(48)21(20)2)8-9-26-45(5)13-12-27(44(3,4)25(45)11-14-47(26,46)7)64-42-38(34(56)33(55)36(65-42)39(58)59)67-41-37(32(54)30(52)24(19-50)63-41)66-40-35(57)31(53)29(51)23(18-49)62-40/h8,20-21,23-38,40-42,49-57H,9-19H2,1-7H3,(H,58,59)(H,60,61)/t20-,21+,23-,24-,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,40+,41+,42-,45+,46-,47-,48+/m1/s1 |
| InChIKey | GKEHCTVQVOZGNM-HGXJOTAKSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WeDMdT8Ezv |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-URS-12-EN-28-OIC-ACID |
| Compound Number | 9P |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-20-10-15-48(43(60)61)17-16-46(6)22(28(48)21(20)2)8-9-26-45(5)13-12-27(44(3,4)25(45)11-14-47(26,46)7)64-42-38(34(56)33(55)36(65-42)39(58)59)67-41-37(32(54)30(52)24(19-50)63-41)66-40-35(57)31(53)29(51)23(18-49)62-40/h8,20-21,23-38,40-42,49-57H,9-19H2,1-7H3,(H,58,59)(H,60,61)/t20-,21+,23-,24-,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,40+,41+,42-,45+,46-,47-,48+/m1/s1 |
| InChIKey | GKEHCTVQVOZGNM-HGXJOTAKSA-N |
| Literature Reference Author | C.MAEDA,K.OHTANI,R.KASAI,K.YAMASSAKI,N.M.DUC,N.T.NHAM,N.K.Q. CU |
| Literature Reference Citation | PHYTOCHEM.,37,1131(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89543-6 |
| Molecular Weight | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU24048 |