| SpectraBase Compound ID | 2ljlr5uwSTi |
|---|---|
| InChI | InChI=1S/C31H40O17/c1-12-20(36)26(45-18(35)6-4-13-3-5-16(41-2)15(34)9-13)24(40)30(43-12)46-25-14-7-8-42-28(19(14)31(11-33)27(25)48-31)47-29-23(39)22(38)21(37)17(10-32)44-29/h3-9,12,14,17,19-30,32-34,36-40H,10-11H2,1-2H3/b6-4+/t12-,14-,17+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | JHANNGATDMZMHI-JFKITHKRSA-N |
| Mol Weight | 684.6 g/mol |
| Molecular Formula | C31H40O17 |
| Exact Mass | 684.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6d00V8urWA |
|---|---|
| Name | 6-O-(3''-O-ISOFERULOYLRHAMNOPYRANOSYL)-CATALPOL |
| Compound Number | 97 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O17 |
| InChI | InChI=1S/C31H40O17/c1-12-20(36)26(45-18(35)6-4-13-3-5-16(41-2)15(34)9-13)24(40)30(43-12)46-25-14-7-8-42-28(19(14)31(11-33)27(25)48-31)47-29-23(39)22(38)21(37)17(10-32)44-29/h3-9,12,14,17,19-30,32-34,36-40H,10-11H2,1-2H3/b6-4+/t12-,14-,17+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | JHANNGATDMZMHI-JFKITHKRSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 684.648 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16090 |