| SpectraBase Compound ID | GtvEg43yrid |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,24-27,29-42,49-59H,11-21H2,1-8H3/t22-,24?,25-,26-,27?,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42+,45+,46-,47-,48-/m1/s1 |
| InChIKey | CMCKJNVAUXCQCZ-LAXNMXEISA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDxJSBukRBu |
|---|---|
| Name | SAIKOSAPONIN-I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,24-27,29-42,49-59H,11-21H2,1-8H3/t22-,24?,25-,26-,27?,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42+,45+,46-,47-,48-/m1/s1 |
| InChIKey | CMCKJNVAUXCQCZ-LAXNMXEISA-N |
| Literature Reference Author | K.SHIMIZU,S.AMAGAYA,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,3349(1985) |
| Literature Reference DOI | 10.1248/cpb.33.3349 |
| Molecular Weight | 927.137 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK160 |