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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H36O4
Molecular Weight 340.4974
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 8-EPI-NICOTIADITERPENE A

SMILES

CC(C)[C@H](CCC(C)=O)\C=C\[C@@](C)(O)C[C@@H](O)\C=C(/C)CCCO

InChI

InChIKey=VRYMYLAUIROARJ-FGOBCVRJSA-N
InChI=1S/C20H36O4/c1-15(2)18(9-8-17(4)22)10-11-20(5,24)14-19(23)13-16(3)7-6-12-21/h10-11,13,15,18-19,21,23-24H,6-9,12,14H2,1-5H3/b11-10+,16-13+/t18-,19+,20-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
8-EPI-NICOTIADITERPENE A
Common Name English
6,11-PENTADECADIEN-2-ONE, 8,10,15-TRIHYDROXY-8,12-DIMETHYL-5-(1-METHYLETHYL)-, (5S-(5R*,6E,8R*,10S*,11E))-
Preferred Name English
NICOTIADITERPENE A, (8S)-
Common Name English
8,10,15-TRIHYDROXY-8,12-DIMETHYL-5-(1-METHYLETHYL)-6,11-PENTADECADIEN-2-ONE, (5S-(5R*,6E,8R*,10S*,11E))-
Systematic Name English
Code System Code Type Description
PUBCHEM
135391008
Created by admin on Tue Apr 01 22:48:36 GMT 2025 , Edited by admin on Tue Apr 01 22:48:36 GMT 2025
PRIMARY
FDA UNII
0WI5R8A967
Created by admin on Tue Apr 01 22:48:36 GMT 2025 , Edited by admin on Tue Apr 01 22:48:36 GMT 2025
PRIMARY
CAS
152209-55-7
Created by admin on Tue Apr 01 22:48:36 GMT 2025 , Edited by admin on Tue Apr 01 22:48:36 GMT 2025
PRIMARY