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- Double-bond stereo
- 2 of 2 defined stereocentres
[(8beta)-1-Isopropyl-6-methyl-9,10-didehydroergolin-8-yl]methyl cyclohexanecarboxylate (2Z)-2-butenedioate (1:1)
CC(C)n1cc2c3c1cccc3C4=C[C@H](CN([C@@H]4C2)C)COC(=O)C5CCCCC5.C(=C\C(=O)O)\C(=O)O
InChI=1S/C26H34N2O2.C4H4O4/c1-17(2)28-15-20-13-24-22(21-10-7-11-23(28)25(20)21)12-18(14-27(24)3)16-30-26(29)19-8-5-4-6-9-19;5-3(6)1-2-4(7)8/h7,10-12,15,17-19,24H,4-6,8-9,13-14,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,24-;/m1./s1
AEPOKJXPUGAPME-MJWGMBJQSA-N
CSID:23230144, http://www.chemspider.com/Chemical-Structure.23230144.html (accessed 23:45, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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