| SpectraBase Compound ID | sb5nDyfZZM |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-39-35(57)33(55)31(53)25(19-49)62-39)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-40-36(29(51)23(50)20-60-40)64-38-34(56)32(54)30(52)24(18-48)61-38/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23?,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 | WICIOAMNFCXLEV-IFNNVWPVSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C47H76O18 |
| Exact Mass | 928.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lPSDWFgbNI |
|---|---|
| Name | ILEXSAPONIN-B-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O18 |
| InChI | InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-39-35(57)33(55)31(53)25(19-49)62-39)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-40-36(29(51)23(50)20-60-40)64-38-34(56)32(54)30(52)24(18-48)61-38/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23?,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 | WICIOAMNFCXLEV-IFNNVWPVSA-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 | 929.110 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK246 |