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- Double-bond stereo
- 2 of 2 defined stereocentres
(6-Methyl-8,9-didehydroergolin-8-yl)methyl cycloheptanecarboxylate (2Z)-2-butenedioate (1:1)
CN1CC(=C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)COC(=O)C5CCCCCC5.C(=C\C(=O)O)\C(=O)O
InChI=1S/C24H30N2O2.C4H4O4/c1-26-14-16(15-28-24(27)17-7-4-2-3-5-8-17)11-20-19-9-6-10-21-23(19)18(13-25-21)12-22(20)26;5-3(6)1-2-4(7)8/h6,9-11,13,17,20,22,25H,2-5,7-8,12,14-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t20-,22-;/m1./s1
JPQYCTZIZPZIIE-IQVRMLRVSA-N
CSID:23230212, http://www.chemspider.com/Chemical-Structure.23230212.html (accessed 22:56, May 2, 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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