| SpectraBase Compound ID | 3sxrEkdu39R |
|---|---|
| InChI | InChI=1S/C34H62O16/c1-4-5-11-14-20(15-12-9-7-6-8-10-13-16-22(36)37)47-33-30(27(42)24(39)19(3)46-33)50-34-31(28(43)25(40)21(17-35)48-34)49-32-29(44)26(41)23(38)18(2)45-32/h18-21,23-35,38-44H,4-17H2,1-3H3,(H,36,37)/t18-,19+,20-,21+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-/m0/s1 |
| InChIKey | DSQKNZNQTGUADI-YVQQKAHASA-N |
| Mol Weight | 726.9 g/mol |
| Molecular Formula | C34H62O16 |
| Exact Mass | 726.403786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JArBvCMiDI4 |
|---|---|
| Name | CUSCUTIC-ACID-AA;(11S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-0-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H62O16 |
| InChI | InChI=1S/C34H62O16/c1-4-5-11-14-20(15-12-9-7-6-8-10-13-16-22(36)37)47-33-30(27(42)24(39)19(3)46-33)50-34-31(28(43)25(40)21(17-35)48-34)49-32-29(44)26(41)23(38)18(2)45-32/h18-21,23-35,38-44H,4-17H2,1-3H3,(H,36,37)/t18-,19+,20-,21+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-/m0/s1 |
| InChIKey | DSQKNZNQTGUADI-YVQQKAHASA-N |
| Literature Reference Author | X.M.DU,N.Y.SUN,M.NISHI,T.KAWASAKI,Y.T.GUO,K.MIYAHARA |
| Literature Reference Citation | J.NAT.PROD.,62,722(1999) |
| Literature Reference DOI | 10.1021/np980506j |
| Molecular Weight | 726.857 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7612 |