| SpectraBase Compound ID | 11JFbzC0jpO |
|---|---|
| InChI | InChI=1S/C37H66O20/c1-4-12-19(13-10-8-6-5-7-9-11-14-22(40)41)53-36-32(25(44)20(39)16-50-36)57-37-33(28(47)26(45)21(15-38)54-37)56-35-30(49)31(24(43)18(3)52-35)55-34-29(48)27(46)23(42)17(2)51-34/h17-21,23-39,42-49H,4-16H2,1-3H3,(H,40,41)/t17-,18-,19-,20+,21+,23-,24-,25-,26+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-/m0/s1 |
| InChIKey | HPMIZGDBXRXSCK-IXJMFCEASA-N |
| Mol Weight | 830.9 g/mol |
| Molecular Formula | C37H66O20 |
| Exact Mass | 830.414745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UzxZ9ji4AC |
|---|---|
| Name | CUSCUTIC-ACID-B;(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 | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O20 |
| InChI | InChI=1S/C37H66O20/c1-4-12-19(13-10-8-6-5-7-9-11-14-22(40)41)53-36-32(25(44)20(39)16-50-36)57-37-33(28(47)26(45)21(15-38)54-37)56-35-30(49)31(24(43)18(3)52-35)55-34-29(48)27(46)23(42)17(2)51-34/h17-21,23-39,42-49H,4-16H2,1-3H3,(H,40,41)/t17-,18-,19-,20+,21+,23-,24-,25-,26+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-/m0/s1 |
| InChIKey | HPMIZGDBXRXSCK-IXJMFCEASA-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 | 830.919 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1238 |