ERGOVALINE TARTRATE ,3398-46-7 _Chemical Cloud Database

ERGOVALINE TARTRATE

Basic Information
Product Name：	ERGOVALINE TARTRATE
CAS：	3398-46-7
English Synonyms：	ERGOVALINE TARTRATE
MDL Number.：	MFCD08273761
H bond acceptor：	10
H bond donor：	3
Smile：	CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChi：	InChI=1S/C29H35N5O5.C4H6O6/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17;5-1(3(7)8)2(6)4(9)10/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35);1-2,5-6H,(H,7,8)(H,9,10)/t17-,21-,22+,24+,28-,29+;1-,2-/m11/s1
InChiKey：	InChIKey=SSBOXEQMJALSHO-XNIMTZBUSA-N

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