U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO3
Molecular Weight 369.4971
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [NORGESTIMATE]

SMILES

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(CC[C@H]34)=NO)[C@@H]1CC[C@@]2(OC(C)=O)C#C

InChI

InChIKey=KIQQMECNKUGGKA-NPUFKNHTSA-N
InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17-/t18-,19+,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year