6-Ketoestriol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22O4
Molecular Weight	302.3649
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4C(=O)C[C@@]23[H]

InChI

InChIKey=PYFIDTBVOMQKDC-XCYHEEQWSA-N

InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H22O4
Molecular Weight	302.3649
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:26:08 GMT 2023` Edited by `admin` on `Sat Dec 16 15:26:08 GMT 2023`
Record UNII	MH3UHG2T3V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Ketoestriol

Common Name

English

(16α,17β)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-one

Common Name

English

6-Oxo-16α,17β-estriol

Common Name

English

6-Oxoestriol

Common Name

English

(8r,9s,13s,14s,16r,17r)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7h-cyclopenta[a]phenanthren-6-one

Systematic Name

English

6-Oxoestratriol

Common Name

English

Estra-1,3,5(10)-trien-6-one, 3,16,17-trihydroxy-, (16α,17β)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID901317510

Created by admin on Sat Dec 16 15:26:08 GMT 2023 , Edited by admin on Sat Dec 16 15:26:08 GMT 2023

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PUBCHEM

11876959

Created by admin on Sat Dec 16 15:26:08 GMT 2023 , Edited by admin on Sat Dec 16 15:26:08 GMT 2023

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FDA UNII

MH3UHG2T3V

Created by admin on Sat Dec 16 15:26:08 GMT 2023 , Edited by admin on Sat Dec 16 15:26:08 GMT 2023

PRIMARY

CAS

7323-86-6

Created by admin on Sat Dec 16 15:26:08 GMT 2023 , Edited by admin on Sat Dec 16 15:26:08 GMT 2023

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