| SpectraBase Compound ID | KN7Zckn3Rjj |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-22-30(52)32(54)36(58)40(62-22)66-38-24(19-60-39-35(57)33(55)31(53)23(18-49)63-39)64-41(37(59)34(38)56)65-29-10-11-43(4)25(44(29,5)20-50)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-61-48)28(51)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3/t22-,23-,24-,25?,26?,27?,28+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40?,41+,43+,44+,45-,46+,47-,48+/m1/s1 |
| InChIKey | ZDKCXSMMRXSSDE-TWLBKUJXSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6U9EKcZiuuo |
|---|---|
| Name | CHIKUSAIKOSIDE-II |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-22-30(52)32(54)36(58)40(62-22)66-38-24(19-60-39-35(57)33(55)31(53)23(18-49)63-39)64-41(37(59)34(38)56)65-29-10-11-43(4)25(44(29,5)20-50)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-61-48)28(51)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3/t22-,23-,24-,25?,26?,27?,28+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40?,41+,43+,44+,45-,46+,47-,48+/m1/s1 |
| InChIKey | ZDKCXSMMRXSSDE-TWLBKUJXSA-N |
| Literature Reference Author | J.-K.DING,H.FUJINO,R.KASAI,N.FUJIMOTO,O.TANAKA,J.ZHOU,H.MATS UURA,T.FUWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,34,1158(1986) |
| Literature Reference DOI | 10.1248/cpb.34.1158 |
| Molecular Weight | 943.137 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK166 |