| SpectraBase Spectrum ID |
B21qXCZiy0H |
| Name |
(S)-9-Acetoxy-11-(4-formylphenyl)-10,11-didehydro-6'-methoxycinchonan |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H28N2O4 |
| InChI |
InChI=1S/C29H28N2O4/c1-19(33)35-29(25-11-13-30-27-10-9-24(34-2)16-26(25)27)28-15-22-12-14-31(28)17-23(22)8-7-20-3-5-21(18-32)6-4-20/h3-6,9-11,13,16,18,22-23,28-29H,12,14-15,17H2,1-2H3/t22-,23?,28?,29+/m1/s1 |
| InChIKey |
SVMOULXWCGZZDL-NKMZSFDQSA-N |
| Molecular Weight |
468.553 g/mol |
| SMILES |
C1(N2CC[C@](C1)(C(C#Cc1ccc(C=O)cc1)C2)[H])[C@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H] |
| SPLASH |
splash10-000i-1392200000-a47c64bb3d81c19ab621 |
| Source of Spectrum |
K-2001-55-21 |
| Synonyms |
(3S,4S,8R,9S)-9-Acetoxy-11-(4-formylphenyl)-10,11-didehydro-6'-methoxycinchonan
(9S)-11-(4-formylphenyl)-6'-methoxy-10,11-didehydrocinchonan-9-yl acetate |
| Wiley ID |
1578349 |
