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- Double-bond stereo
- 2 of 2 defined stereocentres
[(8beta)-1-Isopropyl-6-methyl-9,10-didehydroergolin-8-yl]methyl cyclopropanecarboxylate (2Z)-2-butenedioate (1:1)
CC(C)n1cc2c3c1cccc3C4=C[C@H](CN([C@@H]4C2)C)COC(=O)C5CC5.C(=C\C(=O)O)\C(=O)O
InChI=1S/C23H28N2O2.C4H4O4/c1-14(2)25-12-17-10-21-19(18-5-4-6-20(25)22(17)18)9-15(11-24(21)3)13-27-23(26)16-7-8-16;5-3(6)1-2-4(7)8/h4-6,9,12,14-16,21H,7-8,10-11,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,21-;/m1./s1
CHXFAGVQPLOAGM-PGZVNSLNSA-N
CSID:23230393, http://www.chemspider.com/Chemical-Structure.23230393.html (accessed 14:10, 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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