| SpectraBase Compound ID | 3BjSCqqU2Pu |
|---|---|
| InChI | InChI=1S/C35H39NO14/c1-4-18-20-12-22-19-13-24(38)23(37)11-17(19)7-8-36(22)33(44)21(20)14-48-34(18)50-35-32(43)31(42)30(41)27(49-35)15-47-28(39)6-5-16-9-25(45-2)29(40)26(10-16)46-3/h4-6,9-11,13-14,18,20,22,27,30-32,34-35,37-38,40-43H,1,7-8,12,15H2,2-3H3/b6-5-/t18-,20+,22-,27+,30+,31-,32+,34+,35-/m1/s1 |
| InChIKey | CKURFXSHGVMIQW-AYOYRDQNSA-N |
| Mol Weight | 697.7 g/mol |
| Molecular Formula | C35H39NO14 |
| Exact Mass | 697.237055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDCjHenCDru |
|---|---|
| Name | CIS-6'-O-SINAPOYL-DEMETHYL-ALANGISIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H39NO14 |
| InChI | InChI=1S/C35H39NO14/c1-4-18-20-12-22-19-13-24(38)23(37)11-17(19)7-8-36(22)33(44)21(20)14-48-34(18)50-35-32(43)31(42)30(41)27(49-35)15-47-28(39)6-5-16-9-25(45-2)29(40)26(10-16)46-3/h4-6,9-11,13-14,18,20,22,27,30-32,34-35,37-38,40-43H,1,7-8,12,15H2,2-3H3/b6-5-/t18-,20+,22-,27+,30+,31-,32+,34+,35-/m1/s1 |
| InChIKey | CKURFXSHGVMIQW-AYOYRDQNSA-N |
| Literature Reference Author | A.ITOH,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | PHYTOCHEM.,31,1037(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80067-o |
| Molecular Weight | 697.693 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN5038 |