| SpectraBase Compound ID | 3jtrjWxhtbE |
|---|---|
| InChI | InChI=1S/C27H36O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,16,22-24,29H,2,8,11-12,14-15,17-18H2,1,3-4H3/b19-13+/t22-,23-,24+,26+,27-/m1/s1 |
| InChIKey | IQFDAOLIRBRVJU-BRNZMSAPSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C27H36O4 |
| Exact Mass | 424.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEkeZaNOxCG |
|---|---|
| Name | SCOPANOLAL;6-BETA-BENZOYL-9-BETA-H-15-AL-LABDA-8(17),13-DIEN-18-OL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O4 |
| InChI | InChI=1S/C27H36O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,16,22-24,29H,2,8,11-12,14-15,17-18H2,1,3-4H3/b19-13+/t22-,23-,24+,26+,27-/m1/s1 |
| InChIKey | IQFDAOLIRBRVJU-BRNZMSAPSA-N |
| Literature Reference Author | M.AHSAN,S.N.ISLAM,A.I.GRAY,W.H.STIMSON |
| Literature Reference Citation | J.NAT.PROD.,66,958(2003) |
| Literature Reference DOI | 10.1021/np020356j |
| Molecular Weight | 424.580 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP92 |