1,2-DIHYDROXY-3,4-EPOXY-1,2,3,4-TETRAHYDRO-5,9-DIMETHYLCHRYSENE

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H18O3
Molecular Weight	306.3551
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2-DIHYDROXY-3,4-EPOXY-1,2,3,4-TETRAHYDRO-5,9-DIMETHYLCHRYSENE

Structure Search

SMILES

CC1=CC=C2C=C(C)C3=C(C=CC4=C3[C@@H]5O[C@@H]5[C@H](O)[C@H]4O)C2=C1

InChI

InChIKey=VDTWCECJCOQWJE-ZGXWSNOMSA-N

InChI=1S/C20H18O3/c1-9-3-4-11-8-10(2)15-12(14(11)7-9)5-6-13-16(15)19-20(23-19)18(22)17(13)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H18O3
Molecular Weight	306.3551
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:20:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:17 GMT 2025`
Record UNII	U82I34SGNO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(±)-ANTI-1,2-DIHYDROXY-3,4-EPOXY-1,2,3,4-TETRAHYDRO-5,9-DIMETHYLCHRYSENE

Preferred Name

English

1,2-DIHYDROXY-3,4-EPOXY-1,2,3,4-TETRAHYDRO-5,9-DIMETHYLCHRYSENE

Systematic Name

English

CHRYSENO(3,4-B)OXIRENE-1,2-DIOL, 1,2,2A,3A-TETRAHYDRO-4,8-DIMETHYL-, (1R,2S,2AS,3AR)-REL-

Systematic Name

English

1,2-DIHYDRO-5,9-DIMETHYL-3,4-EPOXY-1,2,3,4-TETRAHYDROCHRYSENE

Common Name

English

CHRYSENO(3,4-B)OXIRENE-1,2-DIOL, 1,2,2A,3A-TETRAHYDRO-4,8-DIMETHYL-, (1.ALPHA.,2.BETA.,2A.ALPHA.,3A.ALPHA.)-(±)-

Systematic Name

English

1,2-DIHYDROXY-3,4-EPOXY-1,2,3,4-TETRAHYDRO-5,9-DIMETHYLCHRYSENE, ANTI-(±)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50930489

Created by admin on Mon Mar 31 22:20:17 GMT 2025 , Edited by admin on Mon Mar 31 22:20:17 GMT 2025

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PUBCHEM

132242

Created by admin on Mon Mar 31 22:20:17 GMT 2025 , Edited by admin on Mon Mar 31 22:20:17 GMT 2025

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FDA UNII

U82I34SGNO

Created by admin on Mon Mar 31 22:20:17 GMT 2025 , Edited by admin on Mon Mar 31 22:20:17 GMT 2025

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CAS

139493-54-2

Created by admin on Mon Mar 31 22:20:17 GMT 2025 , Edited by admin on Mon Mar 31 22:20:17 GMT 2025

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