ergocristine

product Name	ergocristine
Synonyms	Ergocristine; 4-25-00-00966 (Beilstein Handbook Reference); BRN 0079046; Ergocrystine; Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha)-; NSC 93743; Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha)- (9CI); (5'alpha)-5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; 5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
Molecular Formula	C₃₅H₃₉N₅O₅
Molecular Weight	609.7147
InChI	InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)
CAS Registry Number	511-08-0
EINECS	208-120-7
Molecular Structure
Density	1.43g/cm³
Boiling point	912.8°C at 760 mmHg
Refractive index	1.721
Flash point	505.8°C