John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1IbApG2lOa3 SpectraBase Spectrum ID=xBygIZ6Vjo

(accessed ).
ALPHA-ERGOKRYPTINE
SpectraBase Compound ID 1IbApG2lOa3
InChI InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25+,26+,31-,32+/m1/s1
InChIKey YDOTUXAWKBPQJW-VQWCOIGNSA-N
Mol Weight 575.7 g/mol
Molecular Formula C32H41N5O5
Exact Mass 575.31077 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 xBygIZ6Vjo
Name ALPHA-ERGOKRYPTINE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H41N5O5
InChI InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25+,26+,31-,32+/m1/s1
InChIKey YDOTUXAWKBPQJW-VQWCOIGNSA-N
Literature Reference Author N.CRESPI-PERELLINO,M.BALLABIO,B.GIOIA,A.MINGHETTI
Literature Reference Citation J.NAT.PROD.,50,1065(1987)
Literature Reference DOI 10.1021/np50054a009
Molecular Weight 575.708 g/mol
Solvent CDCl3
Source File Reference UWCS3537
SpectraBase Batch ID LEd9ytKg1b0