| SpectraBase Compound ID | 6iAfZKhTn7D |
|---|---|
| InChI | InChI=1S/C38H68O20/c1-5-13-20(14-11-9-7-6-8-10-12-15-22(40)41)54-37-33(28(47)24(43)18(3)53-37)58-38-34(29(48)26(45)21(16-39)55-38)57-36-31(50)32(25(44)19(4)52-36)56-35-30(49)27(46)23(42)17(2)51-35/h17-21,23-39,42-50H,5-16H2,1-4H3,(H,40,41)/t17-,18+,19-,20-,21+,23-,24+,25-,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38-/m0/s1 |
| InChIKey | UMIZNBGNSRVDPH-FDAUEMDKSA-N |
| Mol Weight | 844.9 g/mol |
| Molecular Formula | C38H68O20 |
| Exact Mass | 844.430395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdWGGXLYZxr |
|---|---|
| Name | CUSCUTIC-ACID-C;(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 | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H68O20 |
| InChI | InChI=1S/C38H68O20/c1-5-13-20(14-11-9-7-6-8-10-12-15-22(40)41)54-37-33(28(47)24(43)18(3)53-37)58-38-34(29(48)26(45)21(16-39)55-38)57-36-31(50)32(25(44)19(4)52-36)56-35-30(49)27(46)23(42)17(2)51-35/h17-21,23-39,42-50H,5-16H2,1-4H3,(H,40,41)/t17-,18+,19-,20-,21+,23-,24+,25-,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38-/m0/s1 |
| InChIKey | UMIZNBGNSRVDPH-FDAUEMDKSA-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 | 844.946 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1239 |