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Details

Stereochemistry RACEMIC
Molecular Formula C21H16O
Molecular Weight 284.3511
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-HYDROXY-3-METHYLCHOLANTHRENE

SMILES

CC1=CC=C2C=C3C4=CC=CC=C4C=CC3=C5C(O)CC1=C25

InChI

InChIKey=CHNZFZQGTXDBFI-UHFFFAOYSA-N
InChI=1S/C21H16O/c1-12-6-7-14-10-18-15-5-3-2-4-13(15)8-9-16(18)21-19(22)11-17(12)20(14)21/h2-10,19,22H,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H16O
Molecular Weight 284.3511
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:40:38 GMT 2025
Edited
by admin
on Mon Mar 31 22:40:38 GMT 2025
Record UNII
H9B09O30BC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-HYDROXY-3-METHYLCHOLANTHRENE
Systematic Name English
1-HYDROXY-3-METHYLCHOLANTHRENE, (±)-
Preferred Name English
3-METHYLCHOLANTHREN-1-OL
Systematic Name English
BENZ(J)ACEANTHRYLEN-1-OL, 1,2-DIHYDRO-3-METHYL-
Systematic Name English
Code System Code Type Description
CAS
3342-98-1
Created by admin on Mon Mar 31 22:40:38 GMT 2025 , Edited by admin on Mon Mar 31 22:40:38 GMT 2025
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PUBCHEM
18759
Created by admin on Mon Mar 31 22:40:38 GMT 2025 , Edited by admin on Mon Mar 31 22:40:38 GMT 2025
PRIMARY
FDA UNII
H9B09O30BC
Created by admin on Mon Mar 31 22:40:38 GMT 2025 , Edited by admin on Mon Mar 31 22:40:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID70955038
Created by admin on Mon Mar 31 22:40:38 GMT 2025 , Edited by admin on Mon Mar 31 22:40:38 GMT 2025
PRIMARY