((8R,9R,10S,13S,14S,17R)-17-(1-HYDROXYETHYL)-13-METHYL-16-METHYLENE-3-OXO-2,4,5,6,7,8,9,10,11,12,14,15-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL) ACETATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C23H34O4
Molecular Weight	374.5137
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((8R,9R,10S,13S,14S,17R)-17-(1-HYDROXYETHYL)-13-METHYL-16-METHYLENE-3-OXO-2,4,5,6,7,8,9,10,11,12,14,15-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL) ACETATE

Structure Search

SMILES

[H][C@@]12CC(=C)[C@](OC(C)=O)([C@@H](C)O)[C@@]1(C)CC[C@]3([H])[C@@]4([H])CCC(=O)CC4CC[C@@]23[H]

InChI

InChIKey=ZDRKRPHQJSRONC-XTIWAPHOSA-N

InChI=1S/C23H34O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h14,16,18-21,24H,1,5-12H2,2-4H3/t14?,16?,18-,19+,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H34O4
Molecular Weight	374.5137
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:10:15 UTC 2023` Edited by `admin` on `Sat Dec 16 15:10:15 UTC 2023`
Record UNII	N4987H8KH5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((8R,9R,10S,13S,14S,17R)-17-(1-HYDROXYETHYL)-13-METHYL-16-METHYLENE-3-OXO-2,4,5,6,7,8,9,10,11,12,14,15-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL) ACETATE

Systematic Name

English

20.ALPHA.-DIHYDROSEGESTERONE ACETATE

Common Name

English

(1R,3AS,3BR,9AS,9BR,11AS)-1-(1-HYDROXYETHYL)-11A-METHYL-2-METHYLIDENE-7-OXO-HEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-1-YL ACETATE

Systematic Name

English

SEGESTERONE ACETATE METABOLITE (20.ALPHA.-DIHYDROSEGESTERONE ACETATE)

Common Name

English

Code System Code Type Description

FDA UNII

N4987H8KH5

Created by admin on Sat Dec 16 15:10:15 UTC 2023 , Edited by admin on Sat Dec 16 15:10:15 UTC 2023

PRIMARY

PUBCHEM

165412005

Created by admin on Sat Dec 16 15:10:15 UTC 2023 , Edited by admin on Sat Dec 16 15:10:15 UTC 2023

PRIMARY

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SEGESTERONE ACETATE

PARENT -> METABOLITE INACTIVE