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- Double-bond stereo
- 2 of 2 defined stereocentres
[(8beta)-1-Isopropyl-6-methyl-9,10-didehydroergolin-8-yl]methyl cyclopentanecarboxylate (2Z)-2-butenedioate (1:1)
CC(C)n1cc2c3c1cccc3C4=C[C@H](CN([C@@H]4C2)C)COC(=O)C5CCCC5.C(=C\C(=O)O)\C(=O)O
InChI=1S/C25H32N2O2.C4H4O4/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18;5-3(6)1-2-4(7)8/h6,9-11,14,16-18,23H,4-5,7-8,12-13,15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,23-;/m1./s1
CPJFBHABDWMHPJ-OXNXFYCISA-N
CSID:23230131, http://www.chemspider.com/Chemical-Structure.23230131.html (accessed 15:23, Apr 26, 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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