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8-HYDROXYERGOTAMINE

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8-HYDROXYERGOTAMINE
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZZZyVDPvaD
Name 8-HYDROXY-ERGOTAMINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 Author M.FLIEGER,R.LINHARTOVA,P.SEDMERA,J.ZIMA,P.SAJDL,J.STUCHLIK,L .CVAK
Literature Reference Citation J.NAT.PROD.,52,1003(1989)
Literature Reference DOI 10.1021/np50065a014
Molecular Weight 597.671 g/mol
Solvent CD3OD
Source File Reference UWTS204