| SpectraBase Compound ID | 2kabE9lRq1i |
|---|---|
| InChI | InChI=1S/C42H70O14/c1-20-28(48)33(56-35-31(51)30(50)29(49)24(17-43)54-35)32(52)36(53-20)55-27-9-10-38(4)25(39(27,5)18-44)8-11-40(6)34(38)23(46)14-21-22-15-37(2,3)12-13-42(22,19-45)26(47)16-41(21,40)7/h14,20,22-36,43-52H,8-13,15-19H2,1-7H3/t20-,22?,23-,24-,25?,26+,27+,28+,29-,30+,31-,32-,33+,34?,35+,36+,38+,39+,40-,41-,42-/m1/s1 |
| InChIKey | WBZUTWKOBMHGCT-ZADICFGCSA-N |
| Mol Weight | 799.0 g/mol |
| Molecular Formula | C42H70O14 |
| Exact Mass | 798.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1q3XzM5BxjT |
|---|---|
| Name | HYDROXYSAIKOSAPONIN-A;11-O-METHYLSAIKOSAPONIN-B(3) |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O14 |
| InChI | InChI=1S/C42H70O14/c1-20-28(48)33(56-35-31(51)30(50)29(49)24(17-43)54-35)32(52)36(53-20)55-27-9-10-38(4)25(39(27,5)18-44)8-11-40(6)34(38)23(46)14-21-22-15-37(2,3)12-13-42(22,19-45)26(47)16-41(21,40)7/h14,20,22-36,43-52H,8-13,15-19H2,1-7H3/t20-,22?,23-,24-,25?,26+,27+,28+,29-,30+,31-,32-,33+,34?,35+,36+,38+,39+,40-,41-,42-/m1/s1 |
| InChIKey | WBZUTWKOBMHGCT-ZADICFGCSA-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 | 799.009 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4127 |