| SpectraBase Compound ID | 3gVseBhXTwV |
|---|---|
| InChI | InChI=1S/C26H28N2O4S/c1-32-26(31)23(33-17-7-3-2-4-8-17)14-20-16(15-29)13-22-24-19(11-12-28(22)25(20)30)18-9-5-6-10-21(18)27-24/h2-10,16,20,22-23,27,29H,11-15H2,1H3/t16-,20-,22+,23?/m1/s1 |
| InChIKey | XHWUDANBKROZHB-LCLXENTESA-N |
| Mol Weight | 464.58 g/mol |
| Molecular Formula | C26H28N2O4S |
| Exact Mass | 464.176979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8c8u7xlqIfs |
|---|---|
| Name | 17-Norcorynan-18-carboxylic acid, 16-hydroxy-21-oxo-18-(phenylthio)-, methyl ester, (15.beta.)-(.+-.)- |
| CAS Registry Number | 78749-53-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H28N2O4S |
| InChI | InChI=1S/C26H28N2O4S/c1-32-26(31)23(33-17-7-3-2-4-8-17)14-20-16(15-29)13-22-24-19(11-12-28(22)25(20)30)18-9-5-6-10-21(18)27-24/h2-10,16,20,22-23,27,29H,11-15H2,1H3/t16-,20-,22+,23?/m1/s1 |
| InChIKey | XHWUDANBKROZHB-LCLXENTESA-N |
| Molecular Weight | 464.580 g/mol |
| SMILES | OC[C@@]1([C@](C(N2[C@](c3c(CC2)c2ccccc2[nH]3)(C1)[H])=O)(CC(C(=O)OC)Sc1ccccc1)[H])[H] |
| SPLASH | splash10-000i-0942300000-796d57fcc7e0a4bd1c25 |
| Source of Spectrum | K-114-1917-0 |
| Synonyms | 17-Norcorynan-18-carboxylic acid, 16-hydroxy-21-oxo-18-(phenylthio)-, methyl ester, (3.beta.)-(.+-.)- Indolo[2,3-a]quinolizine, 17-norcorynan-18-carboxylic acid deriv. Methyl 3-[(2S,3R,12bS)-2-(hydroxymethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-2-(phenylsulfanyl)propanoate Methylester 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 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 |
| Wiley ID | 1391500 |