| SpectraBase Compound ID | 1ilhSxmFayM |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15?,16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | SMJRKTGCQAVGTN-FYUYTIFNSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74ZBEU9tJtU |
|---|---|
| Name | CANDITRIOL;7-ALPHA,15-ALPHA,18-TRIHYDROXY-ENT-KAUR-16-ENE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15?,16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | SMJRKTGCQAVGTN-FYUYTIFNSA-N |
| Literature Reference Author | B.M.FRAGA,L.ALVAREZ,S.SUAREZ |
| Literature Reference Citation | J.NAT.PROD.,66,327(2003) |
| Literature Reference DOI | 10.1021/np020420x |
| Molecular Weight | 320.472 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI4590 |