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Details

Stereochemistry RACEMIC
Molecular Formula C21H18O2
Molecular Weight 302.3664
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIHYDROXY-3-METHYLCHOLANTHRENE

SMILES

C[C@@]1(O)C=CC2=CC3=C(C=CC4=CC=CC=C34)C5=C2[C@@]1(O)CC5

InChI

InChIKey=DDOUAHQYFGDWTO-RTWAWAEBSA-N
InChI=1S/C21H18O2/c1-20(22)10-8-14-12-18-15-5-3-2-4-13(15)6-7-16(18)17-9-11-21(20,23)19(14)17/h2-8,10,12,22-23H,9,11H2,1H3/t20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H18O2
Molecular Weight 302.3664
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:30:17 GMT 2023
Edited
by admin
on Sat Dec 16 09:30:17 GMT 2023
Record UNII
DJ3PF296SC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIHYDROXY-3-METHYLCHOLANTHRENE
Systematic Name English
CIS-2A,3-DIHYDROXY-3-METHYLCHOLANTHRENE
Systematic Name English
BENZ(J)ACEANTHRYLENE-2A,3(3H)-DIOL, 1,2-DIHYDRO-3-METHYL-, CIS-
Systematic Name English
Code System Code Type Description
FDA UNII
DJ3PF296SC
Created by admin on Sat Dec 16 09:30:17 GMT 2023 , Edited by admin on Sat Dec 16 09:30:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID00988379
Created by admin on Sat Dec 16 09:30:17 GMT 2023 , Edited by admin on Sat Dec 16 09:30:17 GMT 2023
PRIMARY
PUBCHEM
149443
Created by admin on Sat Dec 16 09:30:17 GMT 2023 , Edited by admin on Sat Dec 16 09:30:17 GMT 2023
PRIMARY
CAS
68688-84-6
Created by admin on Sat Dec 16 09:30:17 GMT 2023 , Edited by admin on Sat Dec 16 09:30:17 GMT 2023
PRIMARY