![#SI-13;(5-S)-3-BENZYLOXAZOLIDIN-2-ONE-5-SPIRO-5'-(2'S,6'S,13'S,9'E)-6',10'-DIMETHYL-13'-HYDROXY-17'-(5-METHYLTHIOPHENE-2-CARBONYL)-TRICYCLO-[13.2.2.0(2',6')]-N](/api/spectrum/IJixEHv9fkx/structure.png?h=300&w=458 "#SI-13;(5-S)-3-BENZYLOXAZOLIDIN-2-ONE-5-SPIRO-5'-(2'S,6'S,13'S,9'E)-6',10'-DIMETHYL-13'-HYDROXY-17'-(5-METHYLTHIOPHENE-2-CARBONYL)-TRICYCLO-[13.2.2.0(2',6')]-N")
| SpectraBase Compound ID | 4aLxWF5HN3V |
|---|---|
| InChI | InChI=1S/C36H41NO4S/c1-24-8-7-18-35(3)31(17-19-36(35)23-37(34(40)41-36)22-26-9-5-4-6-10-26)29-15-13-27(20-28(38)14-11-24)21-30(29)33(39)32-16-12-25(2)42-32/h4-6,8-10,12-13,15-16,21,28,31,38H,7,11,14,17-20,22-23H2,1-3H3/b24-8+/t28-,31-,35-,36+/m0/s1 |
| InChIKey | PKZOWHKBIONZEL-JYJRVDBGSA-N |
| Mol Weight | 583.8 g/mol |
| Molecular Formula | C36H41NO4S |
| Exact Mass | 583.27563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJixEHv9fkx |
|---|---|
| Name | #SI-13;(5-S)-3-BENZYLOXAZOLIDIN-2-ONE-5-SPIRO-5'-(2'S,6'S,13'S,9'E)-6',10'-DIMETHYL-13'-HYDROXY-17'-(5-METHYLTHIOPHENE-2-CARBONYL)-TRICYCLO-[13.2.2.0(2',6')]-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H41NO4S |
| InChI | InChI=1S/C36H41NO4S/c1-24-8-7-18-35(3)31(17-19-36(35)23-37(34(40)41-36)22-26-9-5-4-6-10-26)29-15-13-27(20-28(38)14-11-24)21-30(29)33(39)32-16-12-25(2)42-32/h4-6,8-10,12-13,15-16,21,28,31,38H,7,11,14,17-20,22-23H2,1-3H3/b24-8+/t28-,31-,35-,36+/m0/s1 |
| InChIKey | PKZOWHKBIONZEL-JYJRVDBGSA-N |
| Literature Reference Author | N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER |
| Literature Reference Citation | ORG.LETTERS,7,2535(2005) |
| Literature Reference DOI | 10.1021/ol0504345 |
| Molecular Weight | 583.786 g/mol |
| Sample ID | 42972 |
| Solvent | CDCl3 |