Original synthesis of Route of Cymipristone

Nov 26, 2018

1.Cymipristone and intermediates
Cymipristone 329971-40-6  intermediate: 84371-57-3
Cymipristone 329971-40-6  intermediate: 88799-11-5
Cymipristone 329971-40-6  intermediate: 329971-39-3

2.ROS-Cymipristone


3.
Name: Cymipristone
CAS#: 329971-40-6
Chemical Formula: C34H43NO2
Exact Mass: 497.3294
Molecular Weight: 497.723
Elemental Analysis: C, 82.05; H, 8.71; N, 2.81; O, 6.43

Synonym: ZXH-951; ZXH951; ZXH 951; Cymipristone

IUPAC/Chemical Name: (8S,11R,13S,14S,17S)-11-(4-(cyclohexyl(methyl)amino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

InChi Key: LINHWUOVRCYTCY-FMHBTXFXSA-N

InChi Code: InChI=1S/C34H43NO2/c1-4-19-34(37)20-18-31-29-16-12-24-21-27(36)15-17-28(24)32(29)30(22-33(31,34)2)23-10-13-26(14-11-23)35(3)25-8-6-5-7-9-25/h10-11,13-14,21,25,29-31,37H,5-9,12,15-18,20,22H2,1-3H3/t29-,30+,31-,33-,34-/m0/s1

SMILES Code: C[C@@]12[C@@](C#CC)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CCC4=C3[C@@H](C5=CC=C(N(C)C6CCCCC6)C=C5)C2)=O


 

 

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