Try beta.chemspider
- 4 of 6 defined stereocentres
(2'xi,5alpha,5'alpha,8xi)-2-Bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
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+/m1/s1
OZVBMTJYIDMWIL-WQUQBEPMSA-N
CSID:68026212, http://www.chemspider.com/Chemical-Structure.68026212.html (accessed 15:58, Apr 24, 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
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