Try beta.chemspider
- 5 of 5 defined stereocentres
(8alpha,9beta,13alpha,14beta,17alpha)-17-{2-[(4-{4-[Bis(2-chloroethyl)amino]phenyl}butanoyl)oxy]acetoxy}estra-1(10),2,4-trien-3-yl benzoate
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=CC=C43)OC(=O)C3C=CC=CC=3)[C@H]1CC[C@H]2OC(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl
InChI=1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34-,35-,36+,37+,41+/m0/s1
IFJUINDAXYAPTO-LCBIPSGKSA-N
CSID:114553735, http://www.chemspider.com/Chemical-Structure.114553735.html (accessed 17:40, Apr 28, 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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