- Double-bond stereo
- 2 of 2 defined stereocentres
[(8beta)-6-Methyl-9,10-didehydroergolin-8-yl]methyl cyclobutanecarboxylate (2Z)-2-butenedioate (1:1)
CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)COC(=O)C5CCC5.C(=C\C(=O)O)\C(=O)O
InChI=1S/C21H24N2O2.C4H4O4/c1-23-11-13(12-25-21(24)14-4-2-5-14)8-17-16-6-3-7-18-20(16)15(10-22-18)9-19(17)23;5-3(6)1-2-4(7)8/h3,6-8,10,13-14,19,22H,2,4-5,9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,19-;/m1./s1
QVAWMENYSDOTQR-PNKRBHSKSA-N
CSID:23229951, http://www.chemspider.com/Chemical-Structure.23229951.html (accessed 03:52, Apr 19, 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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