| SpectraBase Spectrum ID |
FZ7a0VnBfPj |
| Name |
6-Methyl-8.beta.-phenylaminocarbonylaminomethyl-13-tert-butyl-ergoline |
| Alternate Name(s) |
1-(((6aR,9S,10aR)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)-3-phenylurea
1-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-3-phenylurea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34N4O |
| InChI |
InChI=1S/C27H34N4O/c1-27(2,3)19-12-22-21-10-17(14-29-26(32)30-20-8-6-5-7-9-20)16-31(4)24(21)11-18-15-28-23(13-19)25(18)22/h5-9,12-13,15,17,21,24,28H,10-11,14,16H2,1-4H3,(H2,29,30,32)/t17-,21+,24+/m0/s1 |
| InChIKey |
XQMPJOUUKAOLRN-XVWGUNQUSA-N |
| Molecular Weight |
430.596 g/mol |
| SMILES |
N(C(Nc1ccccc1)=O)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H] |
| SPLASH |
splash10-03xr-1469200000-93b67050e915264dd37c |
| Source of Spectrum |
EMC-32-803-27 |
| Wiley ID |
1734375 |
