- Double-bond stereo
- 3 of 3 defined stereocentres
(8beta)-N-[(2S)-1-Hydroxy-2-propanyl]-6-methyl-9,10-didehydroergoline-8-carboxamide (2Z)-2-butenedioate (1:1)
C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C.C(=C\C(=O)O)\C(=O)O
InChI=1S/C19H23N3O2.C4H4O4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,13+,17+;/m0./s1
YREISLCRUMOYAY-IIPCNOPRSA-N
CSID:4941654, http://www.chemspider.com/Chemical-Structure.4941654.html (accessed 10:03, Apr 2, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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