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XCGSFFUVFURLIX-UHFFFAOYSA-N
SpectraBase Compound ID 8Pg2VJWJbGG
InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)
InChIKey XCGSFFUVFURLIX-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C33H35N5O5
Exact Mass 581.263819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6E70lDAmYun
Name Ergotamine
CAS Registry Number 113-15-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H35N5O5
InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)
InChIKey XCGSFFUVFURLIX-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference N.J. Bach, H.E. Boaz, C.J. Chang, E.Wenkert, J. Org. Chem. 39, 1272 (1974).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6