| SpectraBase Compound ID | 9PwWdK1YpKL |
|---|---|
| InChI | InChI=1S/C28H30N2O5S/c1-17(31)35-16-18-14-24-26-21(20-10-6-7-11-23(20)29-26)12-13-30(24)27(32)22(18)15-25(28(33)34-2)36-19-8-4-3-5-9-19/h3-11,18,22,24-25,29H,12-16H2,1-2H3/t18-,22-,24-,25?/m1/s1 |
| InChIKey | GXVGNKWRELXLOV-JNBPUMRSSA-N |
| Mol Weight | 506.62 g/mol |
| Molecular Formula | C28H30N2O5S |
| Exact Mass | 506.187543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DjXuUGNVrVw |
|---|---|
| Name | 17-Norcorynan-18-carboxylic acid, 16-(acetyloxy)-21-oxo-18-(phenylthio)-, methyl ester, (15.beta.)-(.+-.)- |
| CAS Registry Number | 78769-99-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H30N2O5S |
| InChI | InChI=1S/C28H30N2O5S/c1-17(31)35-16-18-14-24-26-21(20-10-6-7-11-23(20)29-26)12-13-30(24)27(32)22(18)15-25(28(33)34-2)36-19-8-4-3-5-9-19/h3-11,18,22,24-25,29H,12-16H2,1-2H3/t18-,22-,24-,25?/m1/s1 |
| InChIKey | GXVGNKWRELXLOV-JNBPUMRSSA-N |
| Molecular Weight | 506.617 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@@](c12)(C[C@@]([C@](C3=O)(CC(C(=O)OC)Sc1ccccc1)[H])(COC(=O)C)[H])[H] |
| SPLASH | splash10-0a4r-0391160000-dda1c5bfe7190f9c4a96 |
| Source of Spectrum | K-114-1917-0 |
| Synonyms | 17-Norcorynan-18-carboxylic acid, 16-(acetyloxy)-21-oxo-18-(phenylthio)-, methyl ester, (3.beta.)-(.+-.)- Acetate, methylester of 1,2,3,4,6,7,12,12b.beta.-Octahydro-2.beta.-(hydroxymethyl)-4-oxo-.alpha.-(phenylthio)indolo[2,3-a]quinolizin-3.beta.-propanoic acid Acetate, methylester of 1,2,3,4,6,7,12,12b.beta.-octahydro-2.beta.-(hydroxymethyl)-4-oxo-.alpha.-(phenylthio)indolo[2,3-a]quinolizin-3.alpha.-propanoic acid Indolo[2,3-a]quinolizine, 17-norcorynan-18-carboxylic acid deriv. Methyl 3-{(2S,3R,12bR)-2-[(acetyloxy)methyl]-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl}-2-(phenylsulfanyl)propanoate |
| Wiley ID | 1399850 |