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- 9 of 9 defined stereocentres
(3beta)-Cholest-5-en-3-yl (1R)-1-cyano-2(1H)-isoquinolinecarboxylate
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)N5C=Cc6ccccc6[C@@H]5C#N)C)C
InChI=1S/C38H52N2O2/c1-25(2)9-8-10-26(3)32-15-16-33-31-14-13-28-23-29(17-20-37(28,4)34(31)18-21-38(32,33)5)42-36(41)40-22-19-27-11-6-7-12-30(27)35(40)24-39/h6-7,11-13,19,22,25-26,29,31-35H,8-10,14-18,20-21,23H2,1-5H3/t26-,29+,31+,32-,33+,34+,35+,37+,38-/m1/s1
JTSQTZODMZPESS-KDICEOOISA-N
CSID:20575802, http://www.chemspider.com/Chemical-Structure.20575802.html (accessed 06:38, Jul 9, 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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