| SpectraBase Compound ID | 8DYISwGH3kZ |
|---|---|
| InChI | InChI=1S/C35H44O16/c1-35(44)14-24(19-10-11-47-33(28(19)35)51-34-32(43)31(42)30(41)26(16-37)50-34)49-27(39)9-5-17-4-8-21(23(12-17)46-3)48-25(15-36)29(40)18-6-7-20(38)22(13-18)45-2/h4-13,19,24-26,28-34,36-38,40-44H,14-16H2,1-3H3/b9-5+/t19-,24+,25-,26-,28+,29+,30-,31+,32-,33-,34+,35-/m0/s1 |
| InChIKey | JIVIWZFMKMYTDB-KUYZVULXSA-N |
| Mol Weight | 720.7 g/mol |
| Molecular Formula | C35H44O16 |
| Exact Mass | 720.262935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kD8S2MKYXI |
|---|---|
| Name | THREO-6-OXO-4'-(3-METHOXYL-4-HYDROXYPHENYLGLYCOL-8'')-FERULOYL-AJUGOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O16 |
| InChI | InChI=1S/C35H44O16/c1-35(44)14-24(19-10-11-47-33(28(19)35)51-34-32(43)31(42)30(41)26(16-37)50-34)49-27(39)9-5-17-4-8-21(23(12-17)46-3)48-25(15-36)29(40)18-6-7-20(38)22(13-18)45-2/h4-13,19,24-26,28-34,36-38,40-44H,14-16H2,1-3H3/b9-5+/t19-,24+,25-,26-,28+,29+,30-,31+,32-,33-,34+,35-/m0/s1 |
| InChIKey | JIVIWZFMKMYTDB-KUYZVULXSA-N |
| Literature Reference Author | J.H.LU,X.P.PU,G.Z.TU,Y.Y.ZHAO |
| Literature Reference Citation | J.CHIN.PHARM.SCI.,13,151(2004) |
| Molecular Weight | 720.725 g/mol |
| Source File Reference | UWIR7519 |