Dihydroergocornine

Dihydroergocornine: Dihydroergocornine

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

PubChem 168871

UNII IK4C1OC8NE^Y

Jmol-3D images Image 1

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

InChI

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(14-3 2-22)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

Properties

Molecular formula C₃₁H₄₁N₅O₅

Molar mass 563.687 g/mol

Y (verify) (what is: Y/N?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Infobox references

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

This pharmacology-related article is a stub. You can help Wikipedia by expanding it.

Academic Dictionaries and Encyclopedias

Dihydroergocornine

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
PubChem	168871
UNII	IK4C1OC8NE^Y
Jmol-3D images	Image 1
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
InChI 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(14-3 2-22)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
Properties
Molecular formula	C₃₁H₄₁N₅O₅
Molar mass	563.687 g/mol
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references