| SpectraBase Compound ID | Gv1sKlDNQf1 |
|---|---|
| InChI | InChI=1S/C33H35N5O6/c1-31(30(41)38-25(14-19-8-4-3-5-9-19)28(39)37-13-7-12-26(37)33(38,43)44-31)35-29(40)32(42)16-22-21-10-6-11-23-27(21)20(17-34-23)15-24(22)36(2)18-32/h3-6,8-11,16-17,24-26,34,42-43H,7,12-15,18H2,1-2H3,(H,35,40) |
| InChIKey | JGOTUAOHJNQELB-UHFFFAOYSA-N |
| Mol Weight | 597.7 g/mol |
| Molecular Formula | C33H35N5O6 |
| Exact Mass | 597.258734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXXC1p5nc3z |
|---|---|
| Name | 8-Hydroxyergotamin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H35N5O6 |
| InChI | InChI=1S/C33H35N5O6/c1-31(30(41)38-25(14-19-8-4-3-5-9-19)28(39)37-13-7-12-26(37)33(38,43)44-31)35-29(40)32(42)16-22-21-10-6-11-23-27(21)20(17-34-23)15-24(22)36(2)18-32/h3-6,8-11,16-17,24-26,34,42-43H,7,12-15,18H2,1-2H3,(H,35,40) |
| InChIKey | JGOTUAOHJNQELB-UHFFFAOYSA-N |
| Literature Reference | Heterocycles 20, 863 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO |