| SpectraBase Spectrum ID |
GbkyBAck7t0 |
| Name |
(5S,8R)-5(10-9)abeo-6-Methyl-8.beta.-acetoxymethyl-9,10-didehydroergoline |
| Alternate Name(s) |
Acetic acid (7R,9aS)-9-methyl-2,7,8,9,9a,10-hexahydro-pyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-ylmethyl ester
[(7R,9aS)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl]methyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20N2O2 |
| InChI |
InChI=1S/C18H20N2O2/c1-11(21)22-10-14-9-20(2)17-7-13-8-19-16-5-3-4-12(18(13)16)6-15(14)17/h3-6,8,14,17,19H,7,9-10H2,1-2H3/t14-,17+/m1/s1 |
| InChIKey |
PTCZJZRIQDDDMT-PBHICJAKSA-N |
| Molecular Weight |
296.370 g/mol |
| SMILES |
[nH]1cc2C[C@]3(C(=Cc4c2c1ccc4)[C@](CN3C)(COC(=O)C)[H])[H] |
| SPLASH |
splash10-00di-0390000000-f52379ec7d61cd92224b |
| Source of Spectrum |
H1-45-1501-8 |
| Wiley ID |
815801 |
