| SpectraBase Spectrum ID |
VxZ8bVwhlg |
| Name |
(3S,4S,8S,9R)-9-Acetoxy-11-phenyl-10,11-didehydro-6'-methoxycinchonan |
| Alternate Name(s) |
(9S)-6'-methoxy-11-phenyl-10,11-didehydrocinchonan-9-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H28N2O3 |
| InChI |
InChI=1S/C28H28N2O3/c1-19(31)33-28(24-12-14-29-26-11-10-23(32-2)17-25(24)26)27-16-21-13-15-30(27)18-22(21)9-8-20-6-4-3-5-7-20/h3-7,10-12,14,17,21-22,27-28H,13,15-16,18H2,1-2H3/t21-,22?,27+,28+/m1/s1 |
| InChIKey |
PEBNFIOVRVJGJF-LEKVFXAXSA-N |
| Molecular Weight |
440.543 g/mol |
| SMILES |
[C@]1(N2CC[C@](C1)(C(C#Cc1ccccc1)C2)[H])([C@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H])[H] |
| SPLASH |
splash10-0h01-4690000000-add5b9cb820ef4d4d731 |
| Source of Spectrum |
K-2001-54-22 |
| Wiley ID |
1578354 |
