| SpectraBase Compound ID | EC61MYx6Ljy |
|---|---|
| InChI | InChI=1S/C41H64O14/c1-36(2)13-15-41(35(50)51)16-14-39(5)20(21(41)17-36)7-8-24-37(3)11-10-25(38(4,19-42)23(37)9-12-40(24,39)6)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h7,21-31,33-34,42-47H,8-19H2,1-6H3,(H,48,49)(H,50,51)/t21?,22-,23?,24?,25+,26+,27+,28+,29-,30+,31-,33+,34-,37+,38+,39-,40-,41+/m1/s1 |
| InChIKey | FRQAIOATWWJIBU-LXPAHFSNSA-N |
| Mol Weight | 780.9 g/mol |
| Molecular Formula | C41H64O14 |
| Exact Mass | 780.429607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LVahEGkXbcq |
|---|---|
| Name | 3-O-BETA-XYLOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL-HEDERAGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O14 |
| InChI | InChI=1S/C41H64O14/c1-36(2)13-15-41(35(50)51)16-14-39(5)20(21(41)17-36)7-8-24-37(3)11-10-25(38(4,19-42)23(37)9-12-40(24,39)6)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h7,21-31,33-34,42-47H,8-19H2,1-6H3,(H,48,49)(H,50,51)/t21?,22-,23?,24?,25+,26+,27+,28+,29-,30+,31-,33+,34-,37+,38+,39-,40-,41+/m1/s1 |
| InChIKey | FRQAIOATWWJIBU-LXPAHFSNSA-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 | 780.951 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1131 |