Try beta.chemspider
- 4 of 6 defined stereocentres
(2'beta,5xi,5'beta,8alpha,11'xi,12'beta)-2-Bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman
Brc2nc1cccc\3c1c2CC7C/3=C/[C@H](C(=O)N[C@]4(O[C@@]6(O)N(C4=O)[C@@H](C(=O)N5CCCC56)CC(C)C)C(C)C)CN7C
InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23?,24+,25?,31-,32+/m0/s1
OZVBMTJYIDMWIL-KYHOBOAISA-N
CSID:8007684, http://www.chemspider.com/Chemical-Structure.8007684.html (accessed 03:22, May 3, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
Advertisement
Spotlight