PREGNADIENOLONE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32O3
Molecular Weight	356.4984
Optical Activity	( - )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@H](CC[C@]34C)OC(C)=O

InChI

InChIKey=MZWRIOUCMXPLKV-RFOVXIPZSA-N

InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H32O3
Molecular Weight	356.4984
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bile acid receptor 5 Target ID: Q96RI1 Gene ID: 9971.0 Gene Symbol: NR1H4 Target Organism: Homo sapiens (Human) Sources: https://www.sigmaaldrich.com/catalog/product/sigma/d4875?lang=en®ion=RU	Antagonist 2778

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:52:40 GMT 2023` Edited by `admin` on `Sat Dec 16 18:52:40 GMT 2023`
Record UNII	832VMW7ZGC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PREGNADIENOLONE ACETATE

Common Name

English

DEHYDROPREGNENOLONE ACETATE

Common Name

English

PREGNA-5,16-DIEN-20-ONE, 3-(ACETYLOXY)-, (3.BETA.)-

Common Name

English

NSC-37741

Code

English

16-DPA

Common Name

English

(-)-16-DEHYDROPREGNENOLONE ACETATE

Common Name

English

16,17-DIDEHYDROPREGNENOLONE ACETATE

Common Name

English

(3.BETA.)-3-(ACETYLOXY)PREGNA-5,16-DIEN-20-ONE

Common Name

English

16-DEHYDROPREGNENOLONE ACETATE

Common Name

English

Code System Code Type Description

WIKIPEDIA

16-Dehydropregnenolone acetate