| SpectraBase Compound ID | Izrfc64ZxFE |
|---|---|
| InChI | InChI=1S/C45H70O16/c1-22-31(51)36(61-37-34(54)33(53)32(52)23(59-37)19-56-30(50)16-29(48)49)35(55)38(58-22)60-28-10-11-40(4)24(41(28,5)20-46)8-12-42(6)25(40)9-13-45-26-17-39(2,3)14-15-44(26,21-57-45)27(47)18-43(42,45)7/h9,13,22-28,31-38,46-47,51-55H,8,10-12,14-21H2,1-7H3,(H,48,49)/t22-,23-,24?,25?,26?,27+,28+,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42-,43+,44-,45+/m1/s1 |
| InChIKey | ZFGHOZUWNKDBHB-QZYPBZHUSA-N |
| Mol Weight | 867.0 g/mol |
| Molecular Formula | C45H70O16 |
| Exact Mass | 866.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEVjmCIDkds |
|---|---|
| Name | 6''-O-MALONYLSAIKOSAPONIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O16 |
| InChI | InChI=1S/C45H70O16/c1-22-31(51)36(61-37-34(54)33(53)32(52)23(59-37)19-56-30(50)16-29(48)49)35(55)38(58-22)60-28-10-11-40(4)24(41(28,5)20-46)8-12-42(6)25(40)9-13-45-26-17-39(2,3)14-15-44(26,21-57-45)27(47)18-43(42,45)7/h9,13,22-28,31-38,46-47,51-55H,8,10-12,14-21H2,1-7H3,(H,48,49)/t22-,23-,24?,25?,26?,27+,28+,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42-,43+,44-,45+/m1/s1 |
| InChIKey | ZFGHOZUWNKDBHB-QZYPBZHUSA-N |
| Literature Reference Author | N.EBATA,K.NAKAJIMA,K.HAYASHI,M.OKADA,M.MARUNO |
| Literature Reference Citation | PHYTOCHEM.,41,895(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00720-2 |
| Molecular Weight | 867.041 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4117 |