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(+/-)-8-ALPHA-9-ALPHA-DICARBOETHOXY-10-BETA-HYDROXYERGOLINE-(5-BETA-H)
SpectraBase Compound ID FkbH0CPJeVH
InChI InChI=1S/C21H26N2O5/c1-4-27-19(24)13-11-23(3)16-9-12-10-22-15-8-6-7-14(17(12)15)21(16,26)18(13)20(25)28-5-2/h6-8,10,13,16,18,22,26H,4-5,9,11H2,1-3H3/t13-,16-,18+,21-/m1/s1
InChIKey LYKNLOSHIGLGRZ-ORWOLFFYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C21H26N2O5
Exact Mass 386.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEbxFepsemJ
Name (+/-)-8-ALPHA-9-ALPHA-DICARBOETHOXY-10-BETA-HYDROXYERGOLINE-(5-BETA-H)
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O5
InChI InChI=1S/C21H26N2O5/c1-4-27-19(24)13-11-23(3)16-9-12-10-22-15-8-6-7-14(17(12)15)21(16,26)18(13)20(25)28-5-2/h6-8,10,13,16,18,22,26H,4-5,9,11H2,1-3H3/t13-,16-,18+,21-/m1/s1
InChIKey LYKNLOSHIGLGRZ-ORWOLFFYSA-N
Literature Reference Author I.MOLDVAI,E.TEMESVARI-MAJOR,E.GACS-BAITZ,O.EGYED,A.GOEMOERY, L.NYULASZI,C.SZANTAY
Literature Reference Citation HETEROCYCLES,51,2321(1999)
Literature Reference DOI 10.3987/COM-99-8584
Molecular Weight 386.448 g/mol
Solvent CDCl3
Source File Reference UWSW154