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

Details

Stereochemistry RACEMIC
Molecular Formula C13H14O4
Molecular Weight 234.2479
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-TRIHYDROXY-1-TETRALONE 4,5-ACETONIDE, TRANS-(±)-

SMILES

CC1(C)O[C@H]2C[C@H](O)C(=O)C3=CC=CC(O1)=C23

InChI

InChIKey=BLAVGHXHGJQTRX-WPRPVWTQSA-N
InChI=1S/C13H14O4/c1-13(2)16-9-5-3-4-7-11(9)10(17-13)6-8(14)12(7)15/h3-5,8,10,14H,6H2,1-2H3/t8-,10-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2,4,5-TRIHYDROXY-1-TETRALONE 4,5-ACETONIDE, TRANS-(±)-
Common Name English
NAPHTHO(1,8-DE)-1,3-DIOXIN-6(3AH)-ONE, 4,5-DIHYDRO-2,2-DIMETHYL-, TRANS-(±)-
Preferred Name English
Code System Code Type Description
FDA UNII
S8QBH8CC0E
Created by admin on Tue Apr 01 22:42:07 GMT 2025 , Edited by admin on Tue Apr 01 22:42:07 GMT 2025
PRIMARY
CAS
110838-54-5
Created by admin on Tue Apr 01 22:42:07 GMT 2025 , Edited by admin on Tue Apr 01 22:42:07 GMT 2025
PRIMARY
PUBCHEM
23258846
Created by admin on Tue Apr 01 22:42:07 GMT 2025 , Edited by admin on Tue Apr 01 22:42:07 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966