Try beta.chemspider
- Double-bond stereo
- 7 of 7 defined stereocentres
4-{(E)-[(3beta,16E,17beta)-17-Hydroxy-3-(1-pyrrolidinyl)androst-5-en-16-ylidene]methyl}benzonitrile hydrate (1:1)
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\c5ccc(cc5)C#N)/[C@@H]4O)C)N6CCCC6.O
InChI=1S/C31H40N2O.H2O/c1-30-13-11-25(33-15-3-4-16-33)19-24(30)9-10-26-27(30)12-14-31(2)28(26)18-23(29(31)34)17-21-5-7-22(20-32)8-6-21;/h5-9,17,25-29,34H,3-4,10-16,18-19H2,1-2H3;1H2/b23-17+;/t25-,26+,27-,28-,29-,30-,31-;/m0./s1
KRXKMWKGJAMMAU-VLXXEMSNSA-N
CSID:21181772, http://www.chemspider.com/Chemical-Structure.21181772.html (accessed 19:52, Jul 3, 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
Advertisement
Spotlight