| SpectraBase Compound ID | ITTIt03iCQM |
|---|---|
| InChI | InChI=1S/C23H35N3O2S/c1-20(2,24-6)17-10-13-23(5,28-17)16-9-11-21(3,26-14-29)15-8-12-22(4,25-7)19(27)18(15)16/h6-7,15-19,27H,8-13H2,1-5H3/q+2/t15?,16-,17-,18+,19-,21+,22-,23+/m0/s1 |
| InChIKey | ZDSIDNURIGANRH-WWIBSWQSSA-N |
| Mol Weight | 417.6 g/mol |
| Molecular Formula | C23H35N3O2S |
| Exact Mass | 417.244999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClOR6SRcKKb |
|---|---|
| Name | 10-EPI-ISOKALIHINOL-H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H35N3O2S |
| InChI | InChI=1S/C23H35N3O2S/c1-20(2,24-6)17-10-13-23(5,28-17)16-9-11-21(3,26-14-29)15-8-12-22(4,25-7)19(27)18(15)16/h6-7,15-19,27H,8-13H2,1-5H3/q+2/t15?,16-,17-,18+,19-,21+,22-,23+/m0/s1 |
| InChIKey | ZDSIDNURIGANRH-WWIBSWQSSA-N |
| Literature Reference Author | G.TRIMURTULU,D.J.FAULKNER |
| Literature Reference Citation | J.NAT.PROD.,57,501(1994) |
| Literature Reference DOI | 10.1021/np50106a009 |
| Molecular Weight | 417.610 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWTS1404 |