| SpectraBase Spectrum ID |
FX5NslPYbYx |
| Name |
4H-Quinolizine, acetic acid deriv. |
| CAS Registry Number |
97974-75-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32INO4 |
| InChI |
InChI=1S/C27H32INO4/c1-3-32-27(30)16-22-11-7-10-21-15-23(33-18-19-8-5-4-6-9-19)17-25(29(21)22)20-12-13-26(31-2)24(28)14-20/h4-6,8-9,12-14,16,21,23,25H,3,7,10-11,15,17-18H2,1-2H3/b22-16+/t21-,23-,25+/m1/s1 |
| InChIKey |
KXVZAUDGQKPERL-LWKPCHKQSA-N |
| Molecular Weight |
561.460 g/mol |
| SMILES |
C(\C=C\1N2[C@](CCC1)(C[C@@](OCc1ccccc1)(C[C@]2(c1cc(I)c(cc1)OC)[H])[H])[H])(=O)OCC |
| SPLASH |
splash10-01ox-9000060000-48df5fb55bfea39bf6d1 |
| Source of Spectrum |
J-52-4671-42 |
| Synonyms |
Acetic acid, [octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-4H-quinolizin-4-ylidene]-, ethyl ester, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
(6.alpha.,8.alpha.,9a.alpha.)-(+,-)-ethyl .alpha.-[octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-4H-quinolizin-4-ylidene]acetate
ethyl (2E)-[(6S,8R,9aR)-8-(benzyloxy)-6-(3-iodo-4-methoxyphenyl)octahydro-4H-quinolizin-4-ylidene]ethanoate |
| Wiley ID |
1406825 |
