| SpectraBase Spectrum ID |
FeMPnh3WxYa |
| Name |
7.beta-Etorphine |
| Alternate Name(s) |
(14R,15R,19S)-19-[(1S)-1-hydroxy-1-methylbutyl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.1(2,8).0(1,6).0(2,14).0(12,20)]icosa-8(20),9,11,16-tetraen-11-ol
7..beta.-Etorphine |
| 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+/m0/s1 |
| InChIKey |
CAHCBJPUTCKATP-AOZPXFPDSA-N |
| Molecular Weight |
411.542 g/mol |
| SMILES |
Oc1c2c3c(C[C@]4([C@]56[C@]3([C@]([C@]([C@](C(O)(CCC)C)(C6)[H])(C=C5)OC)(O2)[H])CCN4C)[H])cc1 |
| SPLASH |
splash10-03dl-9242700000-6116d55cc95850aeb79e |
| Source of Spectrum |
F-54-9151-19 |
| Wiley ID |
808101 |
