| SpectraBase Spectrum ID |
BIWthnDFD7y |
| Name |
(3S,4S,8R,9S)-9-Acetoxy-11-(4-ethoxycarbonylphenyl)-10,11-didehydro-6'-methoxycinchonan |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H32N2O5 |
| InChI |
InChI=1S/C31H32N2O5/c1-4-37-31(35)22-8-5-21(6-9-22)7-10-24-19-33-16-14-23(24)17-29(33)30(38-20(2)34)26-13-15-32-28-12-11-25(36-3)18-27(26)28/h5-6,8-9,11-13,15,18,23-24,29-30H,4,14,16-17,19H2,1-3H3/t23-,24?,29+,30+/m1/s1 |
| InChIKey |
JEIHOQJIXJUMIK-RVEMXBCUSA-N |
| Molecular Weight |
512.606 g/mol |
| SMILES |
[C@]1(N2CC[C@](C1)(C(C#Cc1ccc(C(=O)OCC)cc1)C2)[H])([C@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H])[H] |
| SPLASH |
splash10-001i-0592300000-993f61cafa52d9ceafd4 |
| Source of Spectrum |
K-2001-55-21 |
| Synonyms |
Ethyl 4-[(9S)-9-(acetyloxy)-6'-methoxy-10,11-didehydrocinchonan-11-yl]benzoate |
| Wiley ID |
1578350 |
