| SpectraBase Compound ID | 1bIA8Y37DDE |
|---|---|
| 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-IUODEOHRSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C16H18N2O |
| Exact Mass | 254.141913 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2nEgAptNhrs |
|---|---|
| Name | (5R,8R)-5(10-9)abeo-6-Methyl-8.beta.-hydroxymethyl-9,10-didehydroergoline |
| 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-IUODEOHRSA-N |
| Molecular Weight | 254.333 g/mol |
| SMILES | OC[C@]1(CN([C@]2(C1=Cc1c3c([nH]cc3C2)ccc1)[H])C)[H] |
| SPLASH | splash10-0229-0890000000-1dcad263b7dffc80bb0c |
| Source of Spectrum | H1-45-1502-10 |
| Synonyms | (5R, 8R)-5(10-9)-abeo-6-Methyl-8.beta.-hydroxymethyl-9,10-didehydroxyergooline [(7R,9aR)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl]methanol (5R,8R)-5(10-9)-abeo-6-Methyl-8.beta.-hydroxymethyl-9,10-didehydroxyergoline ((7R,9aR)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl)methanol |
| Wiley ID | 815800 |