| SpectraBase Compound ID | FIxbvjD6n2d |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-21-11-16-47(41(56)57)18-17-44(6)23(37(47)46(21,8)58)9-10-27-43(5)14-13-28(42(3,4)26(43)12-15-45(27,44)7)62-39-35(30(51)24(49)20-59-39)64-40-36(33(54)31(52)25(19-48)61-40)63-38-34(55)32(53)29(50)22(2)60-38/h9,21-22,24-40,48-55,58H,10-20H2,1-8H3,(H,56,57)/t21-,22?,24?,25+,26?,27?,28-,29?,30?,31+,32?,33-,34?,35?,36+,37?,38?,39?,40-,43-,44+,45+,46+,47-/m0/s1 |
| InChIKey | KWHRIYSRPSARCX-MALOZRSGSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5D6r9cuRx77 |
|---|---|
| Name | ILEXSAPONIN-B-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-21-11-16-47(41(56)57)18-17-44(6)23(37(47)46(21,8)58)9-10-27-43(5)14-13-28(42(3,4)26(43)12-15-45(27,44)7)62-39-35(30(51)24(49)20-59-39)64-40-36(33(54)31(52)25(19-48)61-40)63-38-34(55)32(53)29(50)22(2)60-38/h9,21-22,24-40,48-55,58H,10-20H2,1-8H3,(H,56,57)/t21-,22?,24?,25+,26?,27?,28-,29?,30?,31+,32?,33-,34?,35?,36+,37?,38?,39?,40-,43-,44+,45+,46+,47-/m0/s1 |
| InChIKey | KWHRIYSRPSARCX-MALOZRSGSA-N |
| Literature Reference Author | K.HIDAKA,M.ITO,Y.MATSUDA,H.KOHDA,K.YAMASAKI,J.YAMAHARA,T.CHI SAKA,Y.KAWAKAMI,T.SA |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,524(1987) |
| Literature Reference DOI | 10.1248/cpb.35.524 |
| Molecular Weight | 913.110 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK245 |