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(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman methanesulfonate (1:1) (6045-59-6)

Identification
Name:(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman methanesulfonate (1:1)
Synonyms:Ergotamine methansulfonate;Ergotamine methanesulfonate;Ergotamine, monomethanesulfonate (1:1) (salt);(5'|A)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman methanesulfonate(1:1);62192-83-0;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-, monomethanesulfonate (salt);AC1L34Y1;KST-1A6624;AR-1A6599;LS-64557
CAS:6045-59-6
Molecular Formula: C34H39N5O8S
Molecular Weight: 677.7672
InChI: InChI=1/C33H35N5O5.CH4O3S/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;1-5(2,3)4/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,25-,26+,27+,32-,33+;/m1./s1
Molecular Structure: (C34H39N5O8S) Ergotamine methansulfonate;Ergotamine methanesulfonate;Ergotamine, monomethanesulfonate (1:1) (salt)...
Properties
Flash Point: 506.9°C
Boiling Point: 914.5°C at 760 mmHg
Density:g/cm3
Flash Point: 506.9°C
Safety Data
 

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