7,12-DIMETHYL-3,4-DIHYDROBENZO(A)ANTHRACENE-3,4-DIOL, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H18O2
Molecular Weight	290.3557
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7,12-DIMETHYL-3,4-DIHYDROBENZO(A)ANTHRACENE-3,4-DIOL, TRANS-

Structure Search

SMILES

CC1=C2C=CC3=C(C=C[C@H](O)[C@H]3O)C2=C(C)C4=CC=CC=C14

InChI

InChIKey=YZIIKMBFHLJAFT-ICSRJNTNSA-N

InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H18O2
Molecular Weight	290.3557
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 `Mon Mar 31 21:48:00 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:00 GMT 2025`
Record UNII	U6AIJ1G484
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7,12-DIMETHYL-3,4-DIHYDROBENZO(A)ANTHRACENE-3,4-DIOL, TRANS-

Systematic Name

English

C19490

Preferred Name

English

J239.117A

Code

English

3,4-DIHYDRO-7,12-DIMETHYLBENZO(A)ANTHRACENE-3,4-DIOL

Systematic Name

English

7,12-DIMETHYLBENZ(A)ANTHRACENE-3,4-DIHYDRODIOL

Common Name

English

TRANS-3,4-DIHYDRO-3,4-DIHYDROXY-7,12-DIMETHYLBENZ(A)ANTHRACENE

Systematic Name

English

3,4-DIHYDROXY-3,4-DIHYDRO-7,12-DIMETHYLBENZ(A)ANTHRACENE

Systematic Name

English

DMBA-3,4-DIOL

Common Name

English

BENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-7,12-DIMETHYL-

Systematic Name

English

TRANS-DMBA-3,4-DIHYDRODIOL

Common Name

English

7,12-DIMETHYL-3,4-DIHYDROBENZ(A)ANTHRACENE-3,4-DIOL

Systematic Name

English

Code System Code Type Description

FDA UNII

U6AIJ1G484

Created by admin on Mon Mar 31 21:48:00 GMT 2025 , Edited by admin on Mon Mar 31 21:48:00 GMT 2025

PRIMARY

CAS

68162-13-0

Created by admin on Mon Mar 31 21:48:00 GMT 2025 , Edited by admin on Mon Mar 31 21:48:00 GMT 2025

PRIMARY

EPA CompTox

DTXSID501223175

Created by admin on Mon Mar 31 21:48:00 GMT 2025 , Edited by admin on Mon Mar 31 21:48:00 GMT 2025

PRIMARY

CAS

72617-60-8

Created by admin on Mon Mar 31 21:48:00 GMT 2025 , Edited by admin on Mon Mar 31 21:48:00 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY