| SpectraBase Spectrum ID |
BRg5WYn4JBx |
| Name |
(5R, 8R,9S)-5(10-9)-abeo-6-Methyl-8.beta.-hydroxymethyl-ergooline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20N2O |
| InChI |
InChI=1S/C16H20N2O/c1-18-8-12(9-19)13-5-10-3-2-4-14-16(10)11(7-17-14)6-15(13)18/h2-4,7,12-13,15,17,19H,5-6,8-9H2,1H3/t12-,13+,15-/m1/s1 |
| InChIKey |
JPBVMRQVEKPELK-VNHYZAJKSA-N |
| Molecular Weight |
256.349 g/mol |
| SMILES |
[nH]1c2cccc3c2c(C[C@@]2([C@]([C@@](CO)(CN2C)[H])(C3)[H])[H])c1 |
| SPLASH |
splash10-0006-1960000000-50ed03c426373738c567 |
| Source of Spectrum |
EMC-33-288-10 |
| Synonyms |
(5R,8R,9S)-5(10-9)-abeo-6-Methyl-8.beta.-hydroxymethyl-ergoline
((6aS,7R,9aR)-9-methyl-2,6,6a,7,8,9,9a,10-octahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl)methanol |
| Wiley ID |
1734460 |
