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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 BENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-12-(HYDROXYMETHYL)-7-METHYL-, TRANS-

SMILES

CC1=C2C=CC=CC2=C(CO)C3=C4C=C[C@H](O)[C@@H](O)C4=CC=C13

InChI

InChIKey=KJYHPFPBANRKJS-ICSRJNTNSA-N
InChI=1S/C20H18O3/c1-11-12-4-2-3-5-14(12)17(10-21)19-13(11)6-7-16-15(19)8-9-18(22)20(16)23/h2-9,18,20-23H,10H2,1H3/t18-,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 12:19:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:19:11 GMT 2023
Record UNII
30P9SB293I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-12-(HYDROXYMETHYL)-7-METHYL-, TRANS-
Systematic Name English
(E)-3,4-DIHYDROXY-7-METHYL-3,4-DIHYDROBENZ(A)ANTHRACENE-12-METHANOL
Systematic Name English
3,4-DIHYDRO-12-(HYDROXYMETHYL)-7-METHYL-BENZ(A)ANTHRACENE-3,4-DIOL, TRANS-
Systematic Name English
BENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-12-(HYDROXYMETHYL)-7-METHYL-, TRANS-(±)-
Systematic Name English
Code System Code Type Description
CAS
69260-83-9
Created by admin on Sat Dec 16 12:19:11 GMT 2023 , Edited by admin on Sat Dec 16 12:19:11 GMT 2023
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FDA UNII
30P9SB293I
Created by admin on Sat Dec 16 12:19:11 GMT 2023 , Edited by admin on Sat Dec 16 12:19:11 GMT 2023
PRIMARY
PUBCHEM
101648117
Created by admin on Sat Dec 16 12:19:11 GMT 2023 , Edited by admin on Sat Dec 16 12:19:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID70219329
Created by admin on Sat Dec 16 12:19:11 GMT 2023 , Edited by admin on Sat Dec 16 12:19:11 GMT 2023
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