| SpectraBase Compound ID | 6elsUsCemCu |
|---|---|
| InChI | InChI=1S/C35H56O9/c1-19-9-14-35(29(40)41)16-15-32(4)20(27(35)34(19,6)42)7-8-23-30(2)12-11-24(44-28-26(39)25(38)21(37)17-43-28)31(3,18-36)22(30)10-13-33(23,32)5/h7,19,21-28,36-39,42H,8-18H2,1-6H3,(H,40,41)/t19-,21-,22?,23?,24-,25-,26+,27?,28-,30-,31+,32+,33+,34+,35-/m0/s1 |
| InChIKey | BHSUFIXFUOVBAB-ALMHTZNGSA-N |
| Mol Weight | 620.8 g/mol |
| Molecular Formula | C35H56O9 |
| Exact Mass | 620.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iv9kIfdh89E |
|---|---|
| Name | BREVICUSPISAPONIN-1;3-O-ALPHA-L-ARABINOPYRANOSYL-20(S)-19-ALPHA,24-DIHYDROXY-URSOLIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O9 |
| InChI | InChI=1S/C35H56O9/c1-19-9-14-35(29(40)41)16-15-32(4)20(27(35)34(19,6)42)7-8-23-30(2)12-11-24(44-28-26(39)25(38)21(37)17-43-28)31(3,18-36)22(30)10-13-33(23,32)5/h7,19,21-28,36-39,42H,8-18H2,1-6H3,(H,40,41)/t19-,21-,22?,23?,24-,25-,26+,27?,28-,30-,31+,32+,33+,34+,35-/m0/s1 |
| InChIKey | BHSUFIXFUOVBAB-ALMHTZNGSA-N |
| Literature Reference Author | A.T.C.TAKETA,T.SCHMITTMANN-SCHLAGER,D.GUILLAUME,G.GOSMANN,E. P.SCHENKEL |
| Literature Reference Citation | PHYTOCHEM.,53,901(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00517-8 |
| Molecular Weight | 620.824 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2215 |