Hydroxy-3-oxo-androsta-1,4-diene-17β-carboxylic Acid, 11β-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26O4
Molecular Weight	330.418
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Hydroxy-3-oxo-androsta-1,4-diene-17β-carboxylic Acid, 11β-

Structure Search

SMILES

[H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=PHNBOEHKSHHULD-SEMYFXIOSA-N

InChI=1S/C20H26O4/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15(18(23)24)20(14,2)10-16(22)17(13)19/h7-9,13-17,22H,3-6,10H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,17+,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H26O4
Molecular Weight	330.418
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:55:20 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:20 GMT 2023`
Record UNII	XBC5NYS5SZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hydroxy-3-oxo-androsta-1,4-diene-17β-carboxylic Acid, 11β-

Systematic Name

English

Androsta-1,4-diene-17-carboxylic acid, 11-hydroxy-3-oxo-, (11β,17β)-

Systematic Name

English

11β-Hydroxy-3-oxo-androsta-1,4-diene-17β-carboxylic Acid

Systematic Name

English

(11β,17β)-11-Hydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid

Systematic Name

English

Androsta-1,4-diene-17β-carboxylic acid, 11β-hydroxy-3-oxo-

Systematic Name

English

Code System Code Type Description

FDA UNII

XBC5NYS5SZ

Created by admin on Sat Dec 16 19:55:21 GMT 2023 , Edited by admin on Sat Dec 16 19:55:21 GMT 2023

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CAS

75448-51-0

Created by admin on Sat Dec 16 19:55:21 GMT 2023 , Edited by admin on Sat Dec 16 19:55:21 GMT 2023

PRIMARY

PUBCHEM

139025432

Created by admin on Sat Dec 16 19:55:21 GMT 2023 , Edited by admin on Sat Dec 16 19:55:21 GMT 2023

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