| SpectraBase Spectrum ID |
KWFC3O3nQy1 |
| Name |
(5S,8R)-5(10-9)abeo-6-Methyl-8.beta.-hydroxymethyl-9,10-didehydroergoline |
| Alternate Name(s) |
[(7R,9aS)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl]methanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18N2O |
| InChI |
InChI=1S/C16H18N2O/c1-18-8-12(9-19)13-5-10-3-2-4-14-16(10)11(7-17-14)6-15(13)18/h2-5,7,12,15,17,19H,6,8-9H2,1H3/t12-,15+/m1/s1 |
| InChIKey |
HNUDKJWEFHMGQE-DOMZBBRYSA-N |
| Molecular Weight |
254.333 g/mol |
| SMILES |
OC[C@]1(CN([C@@]2(C1=Cc1c3c([nH]cc3C2)ccc1)[H])C)[H] |
| SPLASH |
splash10-00di-0490000000-cb42c08ece8528447f1a |
| Source of Spectrum |
H1-45-1502-11 |
| Wiley ID |
815799 |
