![3-O-BETA-[GLUCOPYRANOSYL-(1->4)-[XYLOPYRANOSYL-(1->2)]-GLUCURONOPYRANOSYL]-HEDERAGENIN](/api/spectrum/8fzX8agJU3J/structure.png?h=300&w=458 "3-O-BETA-[GLUCOPYRANOSYL-(1->4)-[XYLOPYRANOSYL-(1->2)]-GLUCURONOPYRANOSYL]-HEDERAGENIN")
| SpectraBase Compound ID | 7zeUPk2Shxd |
|---|---|
| InChI | InChI=1S/C47H74O19/c1-42(2)13-15-47(41(59)60)16-14-45(5)21(22(47)17-42)7-8-26-43(3)11-10-27(44(4,20-49)25(43)9-12-46(26,45)6)63-40-35(65-38-31(54)28(51)23(50)19-61-38)33(56)34(36(66-40)37(57)58)64-39-32(55)30(53)29(52)24(18-48)62-39/h7,22-36,38-40,48-56H,8-20H2,1-6H3,(H,57,58)(H,59,60)/t22?,23-,24+,25?,26?,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,38+,39-,40-,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | SQVSJEFXFWVBAO-QXVWYECDSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C47H74O19 |
| Exact Mass | 942.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fzX8agJU3J |
|---|---|
| Name | 3-O-BETA-[GLUCOPYRANOSYL-(1->4)-[XYLOPYRANOSYL-(1->2)]-GLUCURONOPYRANOSYL]-HEDERAGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O19 |
| InChI | InChI=1S/C47H74O19/c1-42(2)13-15-47(41(59)60)16-14-45(5)21(22(47)17-42)7-8-26-43(3)11-10-27(44(4,20-49)25(43)9-12-46(26,45)6)63-40-35(65-38-31(54)28(51)23(50)19-61-38)33(56)34(36(66-40)37(57)58)64-39-32(55)30(53)29(52)24(18-48)62-39/h7,22-36,38-40,48-56H,8-20H2,1-6H3,(H,57,58)(H,59,60)/t22?,23-,24+,25?,26?,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,38+,39-,40-,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | SQVSJEFXFWVBAO-QXVWYECDSA-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 | 943.093 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1138 |