| SpectraBase Spectrum ID |
JFzP7qUXJHV |
| Name |
Etorphine |
| Alternate Name(s) |
(4R,7aR,12bS)-14-((R)-2-hydroxypentan-2-yl)-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H33NO4 |
| InChI |
InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17?,18-,21-,22-,23?,24+,25?/m1/s1 |
| InChIKey |
CAHCBJPUTCKATP-LRFVSOHVSA-N |
| Literature Reference DOI |
10.1002/jccs.201190048 |
| Molecular Weight |
411.542 g/mol |
| SMILES |
O[C@@](C1C2([C@]3([C@]45c6c(ccc(c6O3)O)C[C@](C4(C1)C=C2)(N(CC5)C)[H])[H])OC)(CCC)C |
| SPLASH |
splash10-044i-0495800000-ea0e8c18ea8a7f508bc4 |
| Source of Spectrum |
QA-58-105-9 |
| Wiley ID |
1796534 |
