| SpectraBase Compound ID | ADWkLnr2FOP |
|---|---|
| InChI | InChI=1S/C35H56O10/c1-19-8-13-34(29(41)42)15-14-31(3)20(27(34)33(19,5)43)6-7-22-30(2)11-10-24(45-28-26(40)25(39)21(38)16-44-28)35(17-36,18-37)23(30)9-12-32(22,31)4/h6,19,21-28,36-40,43H,7-18H2,1-5H3,(H,41,42)/t19-,21-,22?,23?,24-,25-,26+,27?,28-,30+,31+,32+,33+,34-/m0/s1 |
| InChIKey | NNZRYRAKIFSXJY-DLITZVAOSA-N |
| Mol Weight | 636.8 g/mol |
| Molecular Formula | C35H56O10 |
| Exact Mass | 636.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQzbzdfeVsd |
|---|---|
| Name | BREVICUSPISAPONIN-2;3-O-ALPHA-L-ARABINOPYRANOSYL-20(S)-19-ALPHA,23,24-TRIHYDROXY-URSOLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O10 |
| InChI | InChI=1S/C35H56O10/c1-19-8-13-34(29(41)42)15-14-31(3)20(27(34)33(19,5)43)6-7-22-30(2)11-10-24(45-28-26(40)25(39)21(38)16-44-28)35(17-36,18-37)23(30)9-12-32(22,31)4/h6,19,21-28,36-40,43H,7-18H2,1-5H3,(H,41,42)/t19-,21-,22?,23?,24-,25-,26+,27?,28-,30+,31+,32+,33+,34-/m0/s1 |
| InChIKey | NNZRYRAKIFSXJY-DLITZVAOSA-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 | 636.824 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2216 |