| SpectraBase Compound ID | IyB6s0obvwG |
|---|---|
| InChI | InChI=1S/C21H26N2O3S/c1-13-16(11-21-10-2-3-19(24)18(21)9-8-17(13)21)20(12-22)27-15-6-4-14(5-7-15)23(25)26/h4-7,13,16-20,24H,2-3,8-11H2,1H3/t13-,16+,17-,18+,19+,20?,21+/m1/s1 |
| InChIKey | CVLDVBWRIXYLIQ-SPQRJLTBSA-N |
| Mol Weight | 386.51 g/mol |
| Molecular Formula | C21H26N2O3S |
| Exact Mass | 386.166414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CxkRojiSa0 |
|---|---|
| Name | (22-S)-DE-A,B-18,22-CYCLO-8-HYDROXY-23-(4-NITROPHENYLSULFENYL)-24-NORCHOLAN-23-NITRILE;EPIMER-B |
| Compound Number | 1D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26N2O3S |
| InChI | InChI=1S/C21H26N2O3S/c1-13-16(11-21-10-2-3-19(24)18(21)9-8-17(13)21)20(12-22)27-15-6-4-14(5-7-15)23(25)26/h4-7,13,16-20,24H,2-3,8-11H2,1H3/t13-,16+,17-,18+,19+,20?,21+/m1/s1 |
| InChIKey | CVLDVBWRIXYLIQ-SPQRJLTBSA-N |
| Literature Reference Author | E.MOMAN,D.NICOLETTI,A.MOURINO |
| Literature Reference Citation | ORG.LETTERS,8,1249(2006) |
| Literature Reference DOI | 10.1021/ol060231w |
| Molecular Weight | 386.509 g/mol |
| Sample ID | 40001 |
| Solvent | CDCl3 |