- 6 of 7 defined stereocentres
5'-[(2S)-2-Butanyl]-2'-ethyl-12'-hydroxy-3',6',18-trioxoergotaman
CC[C@H](C)C1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(CC)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O
InChI=1S/C31H39N5O5/c1-5-17(3)26-28(38)35-12-8-11-24(35)31(40)36(26)29(39)30(6-2,41-31)33-27(37)19-13-21-20-9-7-10-22-25(20)18(15-32-22)14-23(21)34(4)16-19/h7,9-10,13,15,17,19,23-24,26,32,40H,5-6,8,11-12,14,16H2,1-4H3,(H,33,37)/t17-,19+,23+,24-,26?,30+,31-/m0/s1
CSCHZSGPMAJLID-MBLNQIIASA-N
CSID:150090, http://www.chemspider.com/Chemical-Structure.150090.html (accessed 19:26, Apr 17, 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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