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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O2
Molecular Weight 236.3499
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PETASITOLONE

SMILES

[H][C@]12CCC[C@H](C)[C@@]1(C)C=C(C(=O)C2)C(C)(C)O

InChI

InChIKey=LYFRYUAWUBLCKH-FIXISWKDSA-N
InChI=1S/C15H24O2/c1-10-6-5-7-11-8-13(16)12(14(2,3)17)9-15(10,11)4/h9-11,17H,5-8H2,1-4H3/t10-,11+,15+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PETASITOLONE
Common Name English
2(1H)-NAPHTHALENONE, 4A,5,6,7,8,8A-HEXAHYDRO-3-(1-HYDROXY-1-METHYLETHYL)-4A,5-DIMETHYL-, (4AR,5S,8AR)-
Common Name English
2(1H)-NAPHTHALENONE, 4A,5,6,7,8,8A-HEXAHYDRO-3-(1-HYDROXY-1-METHYLETHYL)-4A,5-DIMETHYL-, (4AR-(4A.ALPHA.,5.ALPHA.,8A.ALPHA.))-
Common Name English
Code System Code Type Description
FDA UNII
05X5L9F9XM
Created by admin on Fri Dec 15 21:50:35 GMT 2023 , Edited by admin on Fri Dec 15 21:50:35 GMT 2023
PRIMARY
PUBCHEM
5320506
Created by admin on Fri Dec 15 21:50:35 GMT 2023 , Edited by admin on Fri Dec 15 21:50:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID30188628
Created by admin on Fri Dec 15 21:50:35 GMT 2023 , Edited by admin on Fri Dec 15 21:50:35 GMT 2023
PRIMARY
CAS
35124-22-2
Created by admin on Fri Dec 15 21:50:35 GMT 2023 , Edited by admin on Fri Dec 15 21:50:35 GMT 2023
PRIMARY