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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 5,6-DIHYDRO-5,6-DIHYDROXY-7-HYDROXYMETHYL-12-METHYLBENZ(A)ANTHRACENE, TRANS-

SMILES

CC1=C2C3=C(C=CC=C3)[C@H](O)[C@@H](O)C2=C(CO)C4=CC=CC=C14

InChI

InChIKey=GOVKPSXTEUZTIT-PMACEKPBSA-N
InChI=1S/C20H18O3/c1-11-12-6-2-3-7-13(12)16(10-21)18-17(11)14-8-4-5-9-15(14)19(22)20(18)23/h2-9,19-23H,10H2,1H3/t19-,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5,6-DIHYDRO-5,6-DIHYDROXY-7-HYDROXYMETHYL-12-METHYLBENZ(A)ANTHRACENE, TRANS-
Systematic Name English
BRN-2510010
Preferred Name English
BENZ(A)ANTHRACENE-5,6-DIOL, 5,6-DIHYDRO-7-(HYDROXYMETHYL)-12-METHYL-, TRANS-
Systematic Name English
TRANS-5,6-DIHYDRO-5,6-DIHYDROXY-7-HYDROXYMETHYL-12-METHYLBENZ(A)ANTHRACENE
Systematic Name English
Code System Code Type Description
CAS
40495-42-9
Created by admin on Tue Apr 01 16:28:08 GMT 2025 , Edited by admin on Tue Apr 01 16:28:08 GMT 2025
PRIMARY
PUBCHEM
23620643
Created by admin on Tue Apr 01 16:28:08 GMT 2025 , Edited by admin on Tue Apr 01 16:28:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID30960885
Created by admin on Tue Apr 01 16:28:08 GMT 2025 , Edited by admin on Tue Apr 01 16:28:08 GMT 2025
PRIMARY
FDA UNII
0TM46496W4
Created by admin on Tue Apr 01 16:28:08 GMT 2025 , Edited by admin on Tue Apr 01 16:28:08 GMT 2025
PRIMARY
NIH
NCATS
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