3-HYDROXY-PREGN-16-ENE-11,20-DIONE ACETATE, (3.ALPHA.,5.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32O4
Molecular Weight	372.4978
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-PREGN-16-ENE-11,20-DIONE ACETATE, (3.ALPHA.,5.BETA.)-

Structure Search

SMILES

[H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O

InChI

InChIKey=JAZBMNIJZWDVQJ-VEWLMHDZSA-N

InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3/t15-,16-,17+,19+,21-,22+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H32O4
Molecular Weight	372.4978
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 09:00:45 GMT 2023` Edited by `admin` on `Sat Dec 16 09:00:45 GMT 2023`
Record UNII	3HT3Y96X4U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-PREGN-16-ENE-11,20-DIONE ACETATE, (3.ALPHA.,5.BETA.)-

Common Name

English

3.ALPHA.-HYDROXY-5.BETA.-PREGN-16-ENE-11,20-DIONE ACETATE

Systematic Name

English

((3R,5R,8S,9S,10S,13S,14S)-17-ACETYL-10,13-DIMETHYL-11-OXO-1,2,3,4,5,6,7,8,9,12,14,15-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL) ACETATE

Systematic Name

English

PREGN-16-ENE-11,20-DIONE, 3-(ACETYLOXY)-, (3.ALPHA.,5.BETA.)-

Systematic Name

English

NSC-60797

Code

English

5.BETA.-PREGN-16-ENE-11,20-DIONE, 3.ALPHA.-HYDROXY-, ACETATE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

225-611-1