![3-O-BETA-[XYLOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-HEDERAGENIN](/api/spectrum/UBnrUIqxQS/structure.png?h=300&w=458 "3-O-BETA-[XYLOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-HEDERAGENIN")
| SpectraBase Compound ID | PbKvK9nlX8 |
|---|---|
| InChI | InChI=1S/C46H72O18/c1-41(2)13-15-46(40(57)58)16-14-44(5)21(22(46)17-41)7-8-26-42(3)11-10-27(43(4,20-47)25(42)9-12-45(26,44)6)61-39-34(63-38-31(53)29(51)24(49)19-60-38)32(54)33(35(64-39)36(55)56)62-37-30(52)28(50)23(48)18-59-37/h7,22-35,37-39,47-54H,8-20H2,1-6H3,(H,55,56)(H,57,58)/t22?,23-,24+,25?,26?,27-,28+,29-,30-,31+,32-,33-,34+,35-,37+,38-,39+,42-,43-,44+,45+,46-/m0/s1 |
| InChIKey | SBOAURCYSQZYBZ-YDBMWUDNSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C46H72O18 |
| Exact Mass | 912.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | UBnrUIqxQS |
|---|---|
| Name | 3-O-BETA-[XYLOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-HEDERAGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O18 |
| InChI | InChI=1S/C46H72O18/c1-41(2)13-15-46(40(57)58)16-14-44(5)21(22(46)17-41)7-8-26-42(3)11-10-27(43(4,20-47)25(42)9-12-45(26,44)6)61-39-34(63-38-31(53)29(51)24(49)19-60-38)32(54)33(35(64-39)36(55)56)62-37-30(52)28(50)23(48)18-59-37/h7,22-35,37-39,47-54H,8-20H2,1-6H3,(H,55,56)(H,57,58)/t22?,23-,24+,25?,26?,27-,28+,29-,30-,31+,32-,33-,34+,35-,37+,38-,39+,42-,43-,44+,45+,46-/m0/s1 |
| InChIKey | SBOAURCYSQZYBZ-YDBMWUDNSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 913.067 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1132 |