U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NO4
Molecular Weight 317.3795
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KESSELRINGINE

SMILES

CO[C@]12C[C@@]3(CC[C@H]1O)CC[C@H]4NCCC5=CC(O)=C(O2)C3=C45

InChI

InChIKey=LEFDMAOTHOSJAA-MBUVNVKMSA-N
InChI=1S/C18H23NO4/c1-22-18-9-17(6-3-13(18)21)5-2-11-14-10(4-7-19-11)8-12(20)16(23-18)15(14)17/h8,11,13,19-21H,2-7,9H2,1H3/t11-,13-,17+,18+/m1/s1

HIDE SMILES / InChI

Approval Year