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ERGOCORNINE
SpectraBase Compound ID 9c01zzkmV1f
InChI InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23?,24+,26+,30-,31+/m1/s1
InChIKey UJYGDMFEEDNVBF-GZHCKZGDSA-N
Mol Weight 561.7 g/mol
Molecular Formula C31H39N5O5
Exact Mass 561.295119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Do5FArVLjo6
Name ERGOCORNINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39N5O5
InChI InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23?,24+,26+,30-,31+/m1/s1
InChIKey UJYGDMFEEDNVBF-GZHCKZGDSA-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 561.681 g/mol
Solvent CDCl3
Source File Reference UWCS3536