| SpectraBase Spectrum ID |
CBKSE8PEQwF |
| Name |
(3S,4S,8R,9S)-9-Acetoxy-11-(2-aminophenyl)-10,11-didehydro-6'-methoxycinchonan |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H29N3O3 |
| InChI |
InChI=1S/C28H29N3O3/c1-18(32)34-28(23-11-13-30-26-10-9-22(33-2)16-24(23)26)27-15-20-12-14-31(27)17-21(20)8-7-19-5-3-4-6-25(19)29/h3-6,9-11,13,16,20-21,27-28H,12,14-15,17,29H2,1-2H3/t20-,21?,27+,28+/m1/s1 |
| InChIKey |
OTNUFXPOPXYQHW-QVHMTAMSSA-N |
| Molecular Weight |
455.558 g/mol |
| SMILES |
Nc1c(C#CC2CN3[C@]([C@](c4c5c(ccc(c5)OC)ncc4)(OC(=O)C)[H])(C[C@]2(CC3)[H])[H])cccc1 |
| SPLASH |
splash10-0035-1931000000-2d98313821fb9f2a055d |
| Source of Spectrum |
K-2001-57-21 |
| Synonyms |
(9S)-11-(2-aminophenyl)-6'-methoxy-10,11-didehydrocinchonan-9-yl acetate |
| Wiley ID |
1578344 |
