| SpectraBase Compound ID | K9urdOY9Ab3 |
|---|---|
| InChI | InChI=1S/C24H26N2O3S/c1-29-22(27)26-19-10-6-5-9-18(19)24-20-13-16(14-23(24,26)28)11-12-25(20)15-21(24)30-17-7-3-2-4-8-17/h2-10,16,20-21,28H,11-15H2,1H3/t16?,20?,21-,23+,24+/m0/s1 |
| InChIKey | WNKOBMOWFFZSBA-NQJGAMRXSA-N |
| Mol Weight | 422.54 g/mol |
| Molecular Formula | C24H26N2O3S |
| Exact Mass | 422.166414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KleOKcdEacd |
|---|---|
| Name | METHYL-20-DEETHYL-2-BETA-HYDROXY-6-ALPHA-(PHENYLTHIO)-TUBIFOLIDINE-1-CARBOXYLATE |
| CAS Registry Number | 143370-91-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H26N2O3S |
| InChI | InChI=1S/C24H26N2O3S/c1-29-22(27)26-19-10-6-5-9-18(19)24-20-13-16(14-23(24,26)28)11-12-25(20)15-21(24)30-17-7-3-2-4-8-17/h2-10,16,20-21,28H,11-15H2,1H3/t16?,20?,21-,23+,24+/m0/s1 |
| InChIKey | WNKOBMOWFFZSBA-NQJGAMRXSA-N |
| Literature Reference Author | M.AMAT,J.BOSCH |
| Literature Reference Citation | J.ORG.CHEM.,57,5792(1992) |
| Literature Reference DOI | 10.1021/jo00047a047 |
| Molecular Weight | 422.542 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS357 |