| SpectraBase Compound ID | 2Oqr68sroz5 |
|---|---|
| InChI | InChI=1S/C51H74O15/c1-28(52)35-19-22-51(56)49(35,6)40(64-41(53)16-15-32-13-11-10-12-14-32)27-39-48(5)20-18-34(23-33(48)17-21-50(39,51)55)63-42-25-37(58-8)46(30(3)61-42)66-44-26-38(59-9)47(31(4)62-44)65-43-24-36(57-7)45(54)29(2)60-43/h10-17,29-31,34-40,42-47,54-56H,18-27H2,1-9H3/b16-15+/t29-,30-,31+,34+,35+,36-,37+,38+,39-,40-,42+,43+,44-,45-,46-,47+,48+,49+,50+,51-/m1/s1 |
| InChIKey | LGKSDNYFMRXCFO-DXSHLZLPSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C51H74O15 |
| Exact Mass | 926.502772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YveGmgrmVU |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H74O15 |
| InChI | InChI=1S/C51H74O15/c1-28(52)35-19-22-51(56)49(35,6)40(64-41(53)16-15-32-13-11-10-12-14-32)27-39-48(5)20-18-34(23-33(48)17-21-50(39,51)55)63-42-25-37(58-8)46(30(3)61-42)66-44-26-38(59-9)47(31(4)62-44)65-43-24-36(57-7)45(54)29(2)60-43/h10-17,29-31,34-40,42-47,54-56H,18-27H2,1-9H3/b16-15+/t29-,30-,31+,34+,35+,36-,37+,38+,39-,40-,42+,43+,44-,45-,46-,47+,48+,49+,50+,51-/m1/s1 |
| InChIKey | LGKSDNYFMRXCFO-DXSHLZLPSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1017(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1017 |
| Molecular Weight | 927.140 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4352 |