| SpectraBase Compound ID | 6gG3dmnxPSO |
|---|---|
| InChI | InChI=1S/C43H60O12/c1-24(44)30-16-19-43(49)41(30,5)34(54-35(46)13-12-27-10-8-7-9-11-27)23-33-40(4)17-15-29(20-28(40)14-18-42(33,43)48)53-36-21-31(45)39(26(3)52-36)55-37-22-32(50-6)38(47)25(2)51-37/h7-14,25-26,29-34,36-39,45,47-49H,15-23H2,1-6H3/b13-12+/t25-,26-,29-,30-,31+,32-,33+,34+,36+,37+,38-,39-,40-,41-,42-,43+/m0/s1 |
| InChIKey | VWPSQFPELXPXNA-HJJFNFECSA-N |
| Mol Weight | 768.9 g/mol |
| Molecular Formula | C43H60O12 |
| Exact Mass | 768.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VKcrl0WqEU |
|---|---|
| Name | SYRIACOSIDE-A;IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H60O12 |
| InChI | InChI=1S/C43H60O12/c1-24(44)30-16-19-43(49)41(30,5)34(54-35(46)13-12-27-10-8-7-9-11-27)23-33-40(4)17-15-29(20-28(40)14-18-42(33,43)48)53-36-21-31(45)39(26(3)52-36)55-37-22-32(50-6)38(47)25(2)51-37/h7-14,25-26,29-34,36-39,45,47-49H,15-23H2,1-6H3/b13-12+/t25-,26-,29-,30-,31+,32-,33+,34+,36+,37+,38-,39-,40-,41-,42-,43+/m0/s1 |
| InChIKey | VWPSQFPELXPXNA-HJJFNFECSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,177(2009) |
| Literature Reference DOI | 10.1248/cpb.57.177 |
| Molecular Weight | 768.942 g/mol |
| Sample ID | 2233 |
| Solvent | C5D5N |