- Double-bond stereo
- 3 of 3 defined stereocentres
- Non-standard isotope
(8beta)-N-[(2S)-1-Hydroxy(3,3,4,4,4-~2~H_5_)-2-butanyl]-6-methyl-9,10-didehydroergoline-8-carboxamide (2Z)-2-butenedioate (1:1)
C([2H])([2H])([2H])C([2H])([2H])[C@@H](CO)N=C([C@@H]1C=C2C3=C4C(=CNC4=CC=C3)C[C@H]2N(C)C1)O.C(=C/C(=O)O)/C(=O)O [2H]C([2H])([2H])C([2H])([2H])[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/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1/i1D3,3D2;
NOFOWWRHEPHDCY-CGIGYKFUSA-N
CSID:58783737, http://www.chemspider.com/Chemical-Structure.58783737.html (accessed 06:53, Apr 18, 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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