| SpectraBase Compound ID | 9t7nJp7j91d |
|---|---|
| InChI | InChI=1S/C35H56O7/c1-30(2)14-16-35(29(39)40)17-15-33(6)20(21(35)18-30)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-34(24,33)7)42-28-27(38)26(37)22(36)19-41-28/h8,21-28,36-38H,9-19H2,1-7H3,(H,39,40)/t21-,22-,23-,24+,25-,26-,27+,28-,32?,33?,34?,35-/m0/s1 |
| InChIKey | HZLWUYJLOIAQFC-OQYGPOKJSA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C35H56O7 |
| Exact Mass | 588.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQZqZoelZgV |
|---|---|
| Name | SAPONIN-1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O7 |
| InChI | InChI=1S/C35H56O7/c1-30(2)14-16-35(29(39)40)17-15-33(6)20(21(35)18-30)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-34(24,33)7)42-28-27(38)26(37)22(36)19-41-28/h8,21-28,36-38H,9-19H2,1-7H3,(H,39,40)/t21-,22-,23-,24+,25-,26-,27+,28-,32?,33?,34?,35-/m0/s1 |
| InChIKey | HZLWUYJLOIAQFC-OQYGPOKJSA-N |
| Literature Reference Author | V.MSHVILDADZE,R.ELIAS,R.FAURE,L.DEBRAUWER,G.DEKANOSIDZE,E.KE MERTELIDZE,G.BALANSA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,752(2001) |
| Literature Reference DOI | 10.1248/cpb.49.752 |
| Molecular Weight | 588.825 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU31727 |