| SpectraBase Compound ID | 6vzbyLOE9r7 |
|---|---|
| InChI | InChI=1S/C26H27ClN2O3S/c1-32-26(31)23(33-17-7-3-2-4-8-17)14-20-16(15-27)13-22-24-19(11-12-29(22)25(20)30)18-9-5-6-10-21(18)28-24/h2-10,16,20,22-23,28H,11-15H2,1H3/t16-,20-,22-,23?/m1/s1 |
| InChIKey | WZHIIDGHSQDVGB-WGEMTGRISA-N |
| Mol Weight | 483.03 g/mol |
| Molecular Formula | C26H27ClN2O3S |
| Exact Mass | 482.143092 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1nxppQHpgWl |
|---|---|
| Name | 17-Norcorynan-18-carboxylic acid, 16-chloro-21-oxo-18-(phenylthio)-, methyl ester, (3.beta.)-(.+-.)- |
| Alternate Name(s) | 17-Norcorynan-18-carboxylic acid, 16-chloro-21-oxo-18-(phenylthio)-, methyl ester, (15.beta.)-(.+-.)- Indolo[2,3-a]quinolizine, 17-norcorynan-18-carboxylic acid deriv. Methylester of 2.beta.-(Chloromethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxo-.alpha.-(phenylthio)indolo[2,3-a]quinolizin-3.beta.-propanoic acid Methyl 3-[(2S,3R,12bR)-2-(chloromethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-2-(phenylsulfanyl)propanoate Methylester of 2.beta.-(chloromethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxo-.alpha.-(phenylthio)indolo[2,3-a]quinolizin-3.alpha.-propanoic acid |
| CAS Registry Number | 78749-54-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H27ClN2O3S |
| InChI | InChI=1S/C26H27ClN2O3S/c1-32-26(31)23(33-17-7-3-2-4-8-17)14-20-16(15-27)13-22-24-19(11-12-29(22)25(20)30)18-9-5-6-10-21(18)28-24/h2-10,16,20,22-23,28H,11-15H2,1H3/t16-,20-,22-,23?/m1/s1 |
| InChIKey | WZHIIDGHSQDVGB-WGEMTGRISA-N |
| Molecular Weight | 483.026 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@@](c12)(C[C@@]([C@](C3=O)(CC(C(=O)OC)Sc1ccccc1)[H])(CCl)[H])[H] |
| SPLASH | splash10-001r-0290700000-afcf2c175ee069d1d813 |
| Source of Spectrum | K-114-1922-0 |
| Wiley ID | 1395599 |