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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14O4
Molecular Weight 258.2693
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMETHYLVESTITOL, (S)-

SMILES

OC1=CC(O)=C(C=C1)[C@H]2COC3=C(C2)C=CC(O)=C3

InChI

InChIKey=CJZBXHPHEBCWLV-SNVBAGLBSA-N
InChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14O4
Molecular Weight 258.2693
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:12:50 GMT 2025
Edited
by admin
on Tue Apr 01 18:12:50 GMT 2025
Record UNII
0M77LRT61C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEMETHYLVESTITOL, (+)-
Preferred Name English
DEMETHYLVESTITOL, (S)-
Common Name English
1,3-BENZENEDIOL, 4-(3,4-DIHYDRO-7-HYDROXY-2H-1-BENZOPYRAN-3-YL)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
119026218
Created by admin on Tue Apr 01 18:12:50 GMT 2025 , Edited by admin on Tue Apr 01 18:12:50 GMT 2025
PRIMARY
FDA UNII
0M77LRT61C
Created by admin on Tue Apr 01 18:12:50 GMT 2025 , Edited by admin on Tue Apr 01 18:12:50 GMT 2025
PRIMARY