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- Double-bond stereo
- 2 of 2 defined stereocentres
Hydrogen (2Z)-2-butenedioate [(8beta)-6-methyl-9,10-didehydroergolin-8-yl]methyl cyclohexanecarboxylate (2:1:1)
[H+].[H+].CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)COC(=O)C5CCCCC5.C(=C\C(=O)[O-])\C(=O)[O-]
InChI=1S/C23H28N2O2.C4H4O4/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25;5-3(6)1-2-4(7)8/h5,8-10,12,15-16,21,24H,2-4,6-7,11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,21-;/m1./s1
PITGWFXAOQMFES-PGZVNSLNSA-N
CSID:23230270, http://www.chemspider.com/Chemical-Structure.23230270.html (accessed 23:04, Apr 23, 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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