Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'a,8a)- (639-81-6)

Identification
Name:	Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'a,8a)-
Synonyms:	Ergotaminine(6CI,7CI,8CI); 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trionederiv.; Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv.;Isoergotamine
CAS:	639-81-6
Molecular Formula:	C33H35 N5 O5
Molecular Weight:	0
InChI:	InChI=1/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25+,26-,27-,32+,33-/m0/s1
Molecular Structure:
Properties
Transport:	1544
Flash Point:	506.9°C
Boiling Point:	914.5°C at 760 mmHg
Density:	1.47g/cm³
Refractive index:	1.743
Packinggroup:	III
Flash Point:	506.9°C
Safety Data