Dihydroergocornine

Dihydroergocornine
Names

IUPAC name (5′a,10a)-9,10-dihydro-12′- hydroxy-2′,5′-bis(1-methylethyl) ergotaman-3′,6′,18-trione
Identifiers
CAS Number	25447-65-8^Y
ChemSpider	147720^N
Jmol interactive 3D	Image
PubChem	168871
UNII	IK4C1OC8NE^Y
InChI InChI=1S/C31H41N5O5/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/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1^N Key: SEALOBQTUQIVGU-QNIJNHAOSA-N^N InChI=1/C31H41N5O5/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/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1 Key: SEALOBQTUQIVGU-QNIJNHAOBI
SMILES CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O
Properties
Chemical formula	C₃₁H₄₁N₅O₅
Molar mass	563.687 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is ^YN ?)
Infobox references

Dihydroergocornine is an ergot alkaloid. Alongside dihydroergocristine and dihydroergocryptine, it is one of the three components of ergoloid.

This article is issued from Wikipedia - version of the Tuesday, July 07, 2015. The text is available under the Creative Commons Attribution/Share Alike but additional terms may apply for the media files.