| SpectraBase Compound ID | 7ZEMUTj27Gt |
|---|---|
| InChI | InChI=1S/C50H50O21/c1-63-36-23-30(7-17-34(36)53)11-20-41(56)65-25-38-44(59)46(61)47(62)49(68-38)71-50(27-67-42(57)21-12-31-8-18-35(54)37(24-31)64-2)48(69-43(58)22-10-29-5-15-33(52)16-6-29)45(60)39(70-50)26-66-40(55)19-9-28-3-13-32(51)14-4-28/h3-24,38-39,44-49,51-54,59-62H,25-27H2,1-2H3/b19-9+,20-11+,21-12+,22-10+/t38-,39-,44-,45-,46+,47-,48+,49-,50+/m0/s1 |
| InChIKey | CYVTUSSATYABLE-RKHMLVQOSA-N |
| Mol Weight | 986.9 g/mol |
| Molecular Formula | C50H50O21 |
| Exact Mass | 986.284459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95JrxprOZxu |
|---|---|
| Name | LAPATHOSIDE-A;1,6'-DIFERULOYL-3,6-DI-P-COUMAROYL-SUCROSE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H50O21 |
| InChI | InChI=1S/C50H50O21/c1-63-36-23-30(7-17-34(36)53)11-20-41(56)65-25-38-44(59)46(61)47(62)49(68-38)71-50(27-67-42(57)21-12-31-8-18-35(54)37(24-31)64-2)48(69-43(58)22-10-29-5-15-33(52)16-6-29)45(60)39(70-50)26-66-40(55)19-9-28-3-13-32(51)14-4-28/h3-24,38-39,44-49,51-54,59-62H,25-27H2,1-2H3/b19-9+,20-11+,21-12+,22-10+/t38-,39-,44-,45-,46+,47-,48+,49-,50+/m0/s1 |
| InChIKey | CYVTUSSATYABLE-RKHMLVQOSA-N |
| Literature Reference Author | M.TAKASAKI,S.KUROKI,M.KOZUKA,T.KONOSHIMA |
| Literature Reference Citation | J.NAT.PROD.,64,1305(2001) |
| Literature Reference DOI | 10.1021/np010222q |
| Molecular Weight | 986.934 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2128 |