Try beta.chemspider
- Double-bond stereo
- 11 of 11 defined stereocentres
2-[(3alpha,5beta,6alpha,7alpha,17alpha,23E)-6-Ethyl-3,7-dihydroxychol-23-en-24-yl]benzonitrile
C[C@H](C/C=C/C1=CC=CC=C1C#N)[C@@H]1CC[C@H]2[C@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](CC)[C@H]3O
InChI=1S/C33H47NO2/c1-5-25-29-19-24(35)15-17-33(29,4)28-16-18-32(3)26(13-14-27(32)30(28)31(25)36)21(2)9-8-12-22-10-6-7-11-23(22)20-34/h6-8,10-12,21,24-31,35-36H,5,9,13-19H2,1-4H3/b12-8+/t21-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-/m1/s1
WKJASVZLYKRRBO-YQRMTPTESA-N
CSID:129091605, http://www.chemspider.com/Chemical-Structure.129091605.html (accessed 00:38, Jul 7, 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
Click to predict properties on the Chemicalize site
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