| SpectraBase Spectrum ID |
DEZbqmMnOCn |
| Name |
17-Norcorynan-18-carboxylic acid, 16-cyano-21-oxo-18-(phenylthio)-, methyl ester, (3.beta.)-(.+-.)- |
| Alternate Name(s) |
Indolo[2,3-a]quinolizine, 17-norcorynan-18-carboxylic acid deriv.
Methyl 3-[(2S,4R,5R)-4-(cyanomethyl)-6-oxo-7,17-diazatetracyclo[8.7.0.0(2,7).0(11,16)]heptadeca-1(10),11,13,15-tetraen-5-yl]-2-(phenylsulfanyl)propanoate
Methylester of 2.beta.-(cyanmethyl)-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 |
78381-21-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H27N3O3S |
| InChI |
InChI=1S/C27H27N3O3S/c1-33-27(32)24(34-18-7-3-2-4-8-18)16-21-17(11-13-28)15-23-25-20(12-14-30(23)26(21)31)19-9-5-6-10-22(19)29-25/h2-10,17,21,23-24,29H,11-12,14-16H2,1H3/t17-,21+,23-,24?/m0/s1 |
| InChIKey |
MYYNGOKHDDEEFG-NJTWICCISA-N |
| Molecular Weight |
473.591 g/mol |
| SMILES |
[nH]1c2ccccc2c2CCN3[C@](c12)(C[C@@]([C@](C3=O)(CC(C(=O)OC)Sc1ccccc1)[H])(CC#N)[H])[H] |
| SPLASH |
splash10-002k-0363900000-d972c4bbb4ca599f93f3 |
| Source of Spectrum |
K-114-1923-0 |
| Wiley ID |
1393647 |
