| SpectraBase Compound ID | I0yDtzRIyNc |
|---|---|
| InChI | InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15-,16+,17-,18+,19-,21-,22+,23-/m0/s1 |
| InChIKey | PJAISAAYEQAVGA-KAZKDXLESA-N |
| Mol Weight | 498.48 g/mol |
| Molecular Formula | C23H30O12 |
| Exact Mass | 498.173726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMUJK2AB73A |
|---|---|
| Name | 6-O-4''-HYDROXY-3''-METHOXY-BENZOYL-AJUGOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30O12 |
| InChI | InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15-,16+,17-,18+,19-,21-,22+,23-/m0/s1 |
| InChIKey | PJAISAAYEQAVGA-KAZKDXLESA-N |
| Literature Reference Author | T.IWAGAWA,H.ASAI,T.HASE,S.SAKO,R.SU,N.HAGIWARA,M.KIM |
| Literature Reference Citation | PHYTOCHEM.,29,1913(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85039-I |
| Molecular Weight | 498.484 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32170 |