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

Details

Stereochemistry RACEMIC
Molecular Formula C15H14O3
Molecular Weight 242.2699
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-FLAVANDIOL, TRANS, TRANS-

SMILES

O[C@H]1[C@H](O)C2=CC=CC=C2O[C@@H]1C3=CC=CC=C3

InChI

InChIKey=XIMADJWJJOMVID-QLFBSQMISA-N
InChI=1S/C15H14O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,13-17H/t13-,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14O3
Molecular Weight 242.2699
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:21 GMT 2023
Edited
by admin
on Sat Dec 16 17:30:21 GMT 2023
Record UNII
T8RB3A8M9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-FLAVANDIOL, TRANS, TRANS-
Common Name English
2H-1-BENZOPYRAN-3,4-DIOL, 3,4-DIHYDRO-2-PHENYL-, (2.ALPHA.,3.BETA.,4.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
6059-69-4
Created by admin on Sat Dec 16 17:30:21 GMT 2023 , Edited by admin on Sat Dec 16 17:30:21 GMT 2023
PRIMARY
PUBCHEM
12319999
Created by admin on Sat Dec 16 17:30:21 GMT 2023 , Edited by admin on Sat Dec 16 17:30:21 GMT 2023
PRIMARY
FDA UNII
T8RB3A8M9J
Created by admin on Sat Dec 16 17:30:21 GMT 2023 , Edited by admin on Sat Dec 16 17:30:21 GMT 2023
PRIMARY