(5α,5'β)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman

SMILES:

O=C3N1CCC[C@H]1[C@]2(O)O[C@](C(=O)N2[C@@H]3CC(C)C)(NC(=O)[C@@H]7/C=C6/c4cccc5c4c(cn5)C[C@@H]6N(C)C7)C(C)C CopyCopied

Std. InChI:

InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26+,31-,32+/m1/s1 CopyCopied

Std. InChIKey:

YDOTUXAWKBPQJW-VQZFRJCTSA-N CopyCopied

CSID:144331, http://www.chemspider.com/Chemical-Structure.144331.html (accessed 06:45, Jun 20, 2013) CopyCopied