SpectraBase Compound ID | 9c01zzkmV1f |
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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 |
SpectraBase Spectrum ID | Do5FArVLjo6 |
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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 |