| SpectraBase Spectrum ID |
3iuR5CUBl0s |
| Name |
(3S,4S,8R,9S)-9-Acetoxy-11-(4-hydroxyphenyl)-10,11-didehydro-6'-methoxycinchonan |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H28N2O4 |
| InChI |
InChI=1S/C28H28N2O4/c1-18(31)34-28(24-11-13-29-26-10-9-23(33-2)16-25(24)26)27-15-20-12-14-30(27)17-21(20)6-3-19-4-7-22(32)8-5-19/h4-5,7-11,13,16,20-21,27-28,32H,12,14-15,17H2,1-2H3/t20-,21?,27+,28+/m1/s1 |
| InChIKey |
ZAHZNKLQKZJBGX-QVHMTAMSSA-N |
| Molecular Weight |
456.542 g/mol |
| SMILES |
Oc1ccc(C#CC2CN3[C@]([C@](c4c5c(ccc(c5)OC)ncc4)(OC(=O)C)[H])(C[C@]2(CC3)[H])[H])cc1 |
| SPLASH |
splash10-0002-0932100000-e5c8c857633d23f68307 |
| Source of Spectrum |
K-2001-56-21 |
| Synonyms |
(9S)-11-(4-hydroxyphenyl)-6'-methoxy-10,11-didehydrocinchonan-9-yl acetate |
| Wiley ID |
1578345 |
