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 C18H25NO6
Molecular Weight 351.3942
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JACOBINE

SMILES

C[C@@H]1O[C@@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC3=CCN4CC[C@@H](OC2=O)[C@@H]34

InChI

InChIKey=IAPHXJRHXBQDQJ-WKMWQDDRSA-N
InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1

HIDE SMILES / InChI

Approval Year