For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(+)-12,14-DIBROMO-2,3-DIHYDRO-8-BETA-(HYDROXYMETHYL)-3-BETA-METHOXY-6-METHYLERGOLIN-2-ONE
SpectraBase Compound ID 5VJ5WmDSc90
InChI InChI=1S/C17H20Br2N2O3/c1-21-6-8(7-22)3-9-12(21)5-17(24-2)14-13(9)10(18)4-11(19)15(14)20-16(17)23/h4,8-9,12,22H,3,5-7H2,1-2H3,(H,20,23)/t8-,9?,12?,17-/m1/s1
InChIKey NUYGSBZNZUDMHH-ATFNFULXSA-N
Mol Weight 460.17 g/mol
Molecular Formula C17H20Br2N2O3
Exact Mass 457.984069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KIXoN29OU74
Name (+)-12,14-DIBROMO-2,3-DIHYDRO-8-BETA-(HYDROXYMETHYL)-3-BETA-METHOXY-6-METHYLERGOLIN-2-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20Br2N2O3
InChI InChI=1S/C17H20Br2N2O3/c1-21-6-8(7-22)3-9-12(21)5-17(24-2)14-13(9)10(18)4-11(19)15(14)20-16(17)23/h4,8-9,12,22H,3,5-7H2,1-2H3,(H,20,23)/t8-,9?,12?,17-/m1/s1
InChIKey NUYGSBZNZUDMHH-ATFNFULXSA-N
Literature Reference Author K.SEIFERT,N.M.PHUONG,B.R.VINCENT
Literature Reference Citation HELV.CHIM.ACTA,75,288(1992)
Literature Reference DOI 10.1002/hlca.19920750125
Molecular Weight 460.165 g/mol
Solvent CD3OD
Source File Reference UWCS6311