| SpectraBase Compound ID | GYecm8UxIaG |
|---|---|
| InChI | InChI=1S/C38H68O21/c1-4-12-19(13-10-8-6-5-7-9-11-14-22(41)42)54-37-33(28(48)25(45)20(15-39)55-37)59-38-34(29(49)26(46)21(16-40)56-38)58-36-31(51)32(24(44)18(3)53-36)57-35-30(50)27(47)23(43)17(2)52-35/h17-21,23-40,43-51H,4-16H2,1-3H3,(H,41,42)/t17-,18-,19-,20+,21+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38-/m0/s1 |
| InChIKey | WUBQHJMOXALBIL-VXOUERIJSA-N |
| Mol Weight | 860.9 g/mol |
| Molecular Formula | C38H68O21 |
| Exact Mass | 860.425309 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I93xRIUijgX |
|---|---|
| Name | CUSCUTIC-ACID-A;(11S)-COVOLVULINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA- |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H68O21 |
| InChI | InChI=1S/C38H68O21/c1-4-12-19(13-10-8-6-5-7-9-11-14-22(41)42)54-37-33(28(48)25(45)20(15-39)55-37)59-38-34(29(49)26(46)21(16-40)56-38)58-36-31(51)32(24(44)18(3)53-36)57-35-30(50)27(47)23(43)17(2)52-35/h17-21,23-40,43-51H,4-16H2,1-3H3,(H,41,42)/t17-,18-,19-,20+,21+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38-/m0/s1 |
| InChIKey | WUBQHJMOXALBIL-VXOUERIJSA-N |
| Literature Reference Author | X.M.DU,K.KOHINATA,T.KAWASAKI,Y.T.GUO,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,48,843(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00990-4 |
| Molecular Weight | 860.945 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1237 |