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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=C2C=CC=CC2=C(CO)C3=C1C4=CC=CC=C4[C@H](O)[C@H]3O

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

Molecular Formula C20H18O3
Molecular Weight 306.3551
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 11:29:45 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:45 GMT 2023
Record UNII
0TM46496W4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,6-DIHYDRO-5,6-DIHYDROXY-7-HYDROXYMETHYL-12-METHYLBENZ(A)ANTHRACENE, TRANS-
Systematic Name English
BENZ(A)ANTHRACENE-5,6-DIOL, 5,6-DIHYDRO-7-(HYDROXYMETHYL)-12-METHYL-, TRANS-
Systematic Name English
BRN-2510010
Common 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 Sat Dec 16 11:29:45 GMT 2023 , Edited by admin on Sat Dec 16 11:29:45 GMT 2023
PRIMARY
PUBCHEM
23620643
Created by admin on Sat Dec 16 11:29:45 GMT 2023 , Edited by admin on Sat Dec 16 11:29:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID30960885
Created by admin on Sat Dec 16 11:29:45 GMT 2023 , Edited by admin on Sat Dec 16 11:29:45 GMT 2023
PRIMARY
FDA UNII
0TM46496W4
Created by admin on Sat Dec 16 11:29:45 GMT 2023 , Edited by admin on Sat Dec 16 11:29:45 GMT 2023
PRIMARY