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135556-19-3 ersilan

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Product Name Ersilan
CAS No. 135556-19-3
Synonyms Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-, mixt. with 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione; (5'alpha,10alpha)-5'-benzyl-12'-hydroxy-2'-(1-methylethyl)-3',6',18-trioxo-9,10-dihydroergotaman - 7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1)
InChI InChI=1/C35H41N5O5.C9H12N4O3/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;1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);5,14H,3-4H2,1-2H3/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
Molecular Formula C44H53N9O8
Molecular Weight 835.9471
Boiling point 899.3°C at 760 mmHg
Flash point 497.7°C