Ergocornine

Ergocornine
Identifiers
CAS Number	564-36-3 ;
PubChem CID	73453;
ChemSpider	66155 ;
ECHA InfoCard	100.008.430
Chemical and physical data
Formula	C31H39N5O5
Molar mass	561.672 g/mol
3D model (JSmol)	Interactive image;
	SMILES O=C3N1CCC[C@H]1[C@]2(O)O[C@](C(=O)N2[C@H]3C(C)C)(NC(=O)[C@@H]7/C=C6/c4cccc5c4c(c[nH]5)C[C@H]6N(C)C7)C(C)C;
	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 ; Key:UJYGDMFEEDNVBF-OGGGUQDZSA-N ;
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Ergocornine or 12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione or C31H39N5O5 is a crystalline ergopeptine and one of the ergot alkaloids separated from ergotoxine. It is also a dopamine receptor agonist. It was discovered by Albert Hofmann, the Swiss chemist who created LSD.

References

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Identifiers

CAS Number	564-36-3^Y
PubChem CID	73453
ChemSpider	66155^N
ECHA InfoCard	100.008.430
Chemical and physical data
Formula	C₃₁H₃₉N₅O₅
Molar mass	561.672 g/mol
3D model (JSmol)	Interactive image
SMILES O=C3N1CCC[C@H]1[C@]2(O)O[C@](C(=O)N2[C@H]3C(C)C)(NC(=O)[C@@H]7/C=C6/c4cccc5c4c(c[nH]5)C[C@H]6N(C)C7)C(C)C
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^N Key:UJYGDMFEEDNVBF-OGGGUQDZSA-N^N
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