| SpectraBase Compound ID | 42HnMrHMKJm |
|---|---|
| InChI | InChI=1S/C35H52O13/c1-17-27(39)28(40)29(41)31(46-17)48-30-18(2)45-26(13-24(30)37)47-20-4-9-33(16-36)22-5-8-32(3)21(19-12-25(38)44-15-19)7-11-35(32,43)23(22)6-10-34(33,42)14-20/h12,16-18,20-24,26-31,37,39-43H,4-11,13-15H2,1-3H3/t17-,18-,20+,21-,22?,23?,24+,26+,27-,28+,29?,30-,31-,32-,33+,34+,35+/m1/s1 |
| InChIKey | WWAAVIOTGGRJFG-GEIOLPIZSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C35H52O13 |
| Exact Mass | 680.340792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eyizRV5iMx |
|---|---|
| Name | CHEIRANTHOSIDE-III;STROPHANTHIDIN-3-O-ALPHA-RHAMNOPYRANOSYL-(1->4)-BETA-DIGITOXOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O13 |
| InChI | InChI=1S/C35H52O13/c1-17-27(39)28(40)29(41)31(46-17)48-30-18(2)45-26(13-24(30)37)47-20-4-9-33(16-36)22-5-8-32(3)21(19-12-25(38)44-15-19)7-11-35(32,43)23(22)6-10-34(33,42)14-20/h12,16-18,20-24,26-31,37,39-43H,4-11,13-15H2,1-3H3/t17-,18-,20+,21-,22?,23?,24+,26+,27-,28+,29?,30-,31-,32-,33+,34+,35+/m1/s1 |
| InChIKey | WWAAVIOTGGRJFG-GEIOLPIZSA-N |
| Literature Reference Author | Z.H.LEI,S.YAHARA,T.NOHARA,T.B.SHAN,J.Z.XIONG |
| Literature Reference Citation | PHYTOCHEM.,41,1187(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00764-4 |
| Molecular Weight | 680.790 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4315 |