| SpectraBase Spectrum ID |
DzTDd66ljGW |
| Name |
(1R,4aR,4bR,7S,8S,10aR)-Methyl 8-((2-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate |
| Alternate Name(s) |
Methyl (1R,4aR,4bR,7S,8S,10aR)-8-((3-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38BrNO2 |
| InChI |
InChI=1S/C27H38BrNO2/c1-6-25(2)16-13-21-20(23(25)29-19-10-7-9-18(28)17-19)11-12-22-26(21,3)14-8-15-27(22,4)24(30)31-5/h7,9-11,17,21-23,29H,6,8,12-16H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1 |
| InChIKey |
LDZCHNIJJBPBFS-ZHSJGXMJSA-N |
| Literature Reference DOI |
10.1002/open.201500187 |
| Molecular Weight |
488.510 g/mol |
| SMILES |
N([C@]1([C@](CC[C@@]2([C@@]3([C@]([C@](CCC3)(C)C(=O)OC)(CC=C12)[H])C)[H])(CC)C)[H])c1cc(ccc1)Br |
| SPLASH |
splash10-0a4i-0293300000-b9ea14c554ebcd7503f5 |
| Source of Spectrum |
CHO-5-65/SM8-30 |
| Wiley ID |
1808472 |
