| SpectraBase Compound ID | 6ZZTNwGx1Dh |
|---|---|
| InChI | InChI=1S/C25H36O13/c1-12(3-2-4-13(9-27)5-7-26)22(33)36-20-14-6-8-34-23(16(14)25(11-29)21(20)38-25)37-24-19(32)18(31)17(30)15(10-28)35-24/h3,5-6,8,14-21,23-24,26-32H,2,4,7,9-11H2,1H3/b12-3+,13-5-/t14-,15+,16-,17+,18-,19+,20+,21+,23+,24-,25-/m1/s1 |
| InChIKey | HRRSGVBJDJBENY-LDMINRGKSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C25H36O13 |
| Exact Mass | 544.215591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YTVo3R7haM |
|---|---|
| Name | 8,10-DIHYDROXY-2-METHYL-(2E,6E)-OCTADIENOYL-CATALPOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O13 |
| InChI | InChI=1S/C25H36O13/c1-12(3-2-4-13(9-27)5-7-26)22(33)36-20-14-6-8-34-23(16(14)25(11-29)21(20)38-25)37-24-19(32)18(31)17(30)15(10-28)35-24/h3,5-6,8,14-21,23-24,26-32H,2,4,7,9-11H2,1H3/b12-3+,13-5-/t14-,15+,16-,17+,18-,19+,20+,21+,23+,24-,25-/m1/s1 |
| InChIKey | HRRSGVBJDJBENY-LDMINRGKSA-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 | 544.553 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32169 |