CCRIS-6167

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H13F3O3
Molecular Weight	334.2892
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1C=CC2=C(C=CC3=C4CCC(=O)C4=CC(=C23)C(F)(F)F)[C@@H]1O

InChI

InChIKey=OZBPWRCACKMNBI-RDJZCZTQSA-N

InChI=1S/C18H13F3O3/c19-18(20,21)13-7-12-8(3-5-14(12)22)9-1-2-11-10(16(9)13)4-6-15(23)17(11)24/h1-2,4,6-7,15,17,23-24H,3,5H2/t15-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H13F3O3
Molecular Weight	334.2892
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 07:52:47 GMT 2023` Edited by `admin` on `Sat Dec 16 07:52:47 GMT 2023`
Record UNII	GH6YL4NJA6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CCRIS-6167

Code

English

3,4-DIHYDROXY-3,4,15,16-TETRAHYDRO-11-TRIFLUOROMETHYLCYCLOPENTA(A)PHENANTHREN-17-ONE

Systematic Name

English

CCRIS6167

Code

English

17H-CYCLOPENTA(A)PHENANTHREN-17-ONE, 3,4,15,16-TETRAHYDRO-3,4-DIHYDROXY-11-(TRIFLUOROMETHYL)-, TRANS-

Systematic Name

English

(3S,4S)-3,4-DIHYDROXY-11-(TRIFLUOROMETHYL)-3,4,15,16-TETRAHYDROCYCLOPENTA(A)PHENANTHREN-17-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

154651

Created by admin on Sat Dec 16 07:52:47 GMT 2023 , Edited by admin on Sat Dec 16 07:52:47 GMT 2023

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CAS

151109-62-5

Created by admin on Sat Dec 16 07:52:47 GMT 2023 , Edited by admin on Sat Dec 16 07:52:47 GMT 2023

PRIMARY

EPA CompTox

DTXSID40164711

Created by admin on Sat Dec 16 07:52:47 GMT 2023 , Edited by admin on Sat Dec 16 07:52:47 GMT 2023

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FDA UNII

GH6YL4NJA6

Created by admin on Sat Dec 16 07:52:47 GMT 2023 , Edited by admin on Sat Dec 16 07:52:47 GMT 2023

PRIMARY