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- Double-bond stereo
- 4 of 4 defined stereocentres
(1-Isopropyl-6-methyl-8,9-didehydroergolin-8-yl)methyl trans-4-methoxycyclohexanecarboxylate (2Z)-2-butenedioate (1:1)
CC(n1c2c3c(c1)C[C@H]4N(CC(=C[C@@H]4c3ccc2)COC(=O)[C@H]5CC[C@@H](CC5)OC)C)C.C(=C\C(=O)O)\C(=O)O
InChI=1S/C27H36N2O3.C4H4O4/c1-17(2)29-15-20-13-25-23(22-6-5-7-24(29)26(20)22)12-18(14-28(25)3)16-32-27(30)19-8-10-21(31-4)11-9-19;5-3(6)1-2-4(7)8/h5-7,12,15,17,19,21,23,25H,8-11,13-14,16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,21-,23-,25-;/m1./s1
WTLVFGCSJBJUQJ-OHRLZUCGSA-N
CSID:23230213, http://www.chemspider.com/Chemical-Structure.23230213.html (accessed 14:42, 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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