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Details

Stereochemistry RACEMIC
Molecular Formula C20H18O3
Molecular Weight 306.3551
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 12-HYDROXYMETHYL-7-METHYLBENZ(A)ANTHRACENE-8,9-DIHYDRODIOL, TRANS-

SMILES

CC1=C2C=CC3=C(C=CC=C3)C2=C(CO)C4=C1[C@H](O)[C@@H](O)C=C4

InChI

InChIKey=JKOCLQQMJRIWJU-FXAWDEMLSA-N
InChI=1S/C20H18O3/c1-11-13-7-6-12-4-2-3-5-14(12)19(13)16(10-21)15-8-9-17(22)20(23)18(11)15/h2-9,17,20-23H,10H2,1H3/t17-,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
TRANS-12-HYDROXYMETHYL-7-METHYLBENZ(A)ANTHRACENE-8,9-DIHYDRODIOL
Preferred Name English
12-HYDROXYMETHYL-7-METHYLBENZ(A)ANTHRACENE-8,9-DIHYDRODIOL, TRANS-
Common Name English
BENZ(A)ANTHRACENE-8,9-DIOL, 8,9-DIHYDRO-12-(HYDROXYMETHYL)-7-METHYL-, TRANS-
Systematic Name English
Code System Code Type Description
CAS
70206-45-0
Created by admin on Tue Apr 01 16:58:28 GMT 2025 , Edited by admin on Tue Apr 01 16:58:28 GMT 2025
PRIMARY
FDA UNII
WQJ40HIO62
Created by admin on Tue Apr 01 16:58:28 GMT 2025 , Edited by admin on Tue Apr 01 16:58:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID30220476
Created by admin on Tue Apr 01 16:58:28 GMT 2025 , Edited by admin on Tue Apr 01 16:58:28 GMT 2025
PRIMARY
PUBCHEM
51014
Created by admin on Tue Apr 01 16:58:28 GMT 2025 , Edited by admin on Tue Apr 01 16:58:28 GMT 2025
PRIMARY
NIH
NCATS
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