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- Double-bond stereo
- 3 of 3 defined stereocentres
(8beta)-N-[(2S)-1-Hydroxy-2-butanyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide (2Z)-2-butenedioate (1:1)
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C.C(=C\C(=O)O)\C(=O)O
InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1
LWYXFDXUMVEZKS-ZVFOLQIPSA-N
CSID:4444530, http://www.chemspider.com/Chemical-Structure.4444530.html (accessed 02:40, 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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