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- 6 of 6 defined stereocentres
(5alpha,5'beta)-2'-Ethyl-12'-hydroxy-5'-isobutyl-3',6',18-trioxoergotaman
CC[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC(C)C)NC(=O)[C@H]4CN([C@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C
InChI=1S/C31H39N5O5/c1-5-30(29(39)36-24(12-17(2)3)28(38)35-11-7-10-25(35)31(36,40)41-30)33-27(37)19-13-21-20-8-6-9-22-26(20)18(15-32-22)14-23(21)34(4)16-19/h6,8-9,13,15,17,19,23-25,32,40H,5,7,10-12,14,16H2,1-4H3,(H,33,37)/t19-,23+,24-,25+,30-,31+/m1/s1
JFRCRHHCXKEHBW-QIOPVHFHSA-N
CSID:161425, http://www.chemspider.com/Chemical-Structure.161425.html (accessed 13:15, Apr 25, 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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