4, 5-DIHYDRO-17.ALPHA.-DEACETYLSEGESTERONE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O3
Molecular Weight	330.4611
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4, 5-DIHYDRO-17.ALPHA.-DEACETYLSEGESTERONE ACETATE

Structure Search

SMILES

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

InChI

InChIKey=SAVDKSLIANPELY-PHUJNLFTSA-N

InChI=1S/C21H30O3/c1-12-10-19-18-6-4-14-11-15(23)5-7-16(14)17(18)8-9-20(19,3)21(12,24)13(2)22/h14,16-19,24H,1,4-11H2,2-3H3/t14?,16-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O3
Molecular Weight	330.4611
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:11:41 GMT 2023` Edited by `admin` on `Sat Dec 16 15:11:41 GMT 2023`
Record UNII	J9J6S2CS1G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4, 5-DIHYDRO-17.ALPHA.-DEACETYLSEGESTERONE ACETATE

Common Name

English

SEGESTERONE ACETATE METABOLITE (4, 5-DIHYDRO-17.ALPHA.-DEACETYLSEGESTERONE ACETATE)

Common Name

English

4, 5-DIHYDRO-17.ALPHA.-DEACETYL-NESTORONE

Common Name

English

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

Systematic Name

English

19-NORPREGNANE-3,20-DIONE, 17-HYDROXY-16-METHYLENE-

Systematic Name

English

17-HYDROXY-16-METHYLENE-19-NORPREGNANE-3,20-DIONE

Systematic Name

English

(1R,3AS,3BR,5AS,9AS,9BR,11AS)-1-ACETYL-1-HYDROXY-11A-METHYL-2-METHYLIDENE-HEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-7-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

101496889

Created by admin on Sat Dec 16 15:11:41 GMT 2023 , Edited by admin on Sat Dec 16 15:11:41 GMT 2023

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CAS

1224621-49-1

Created by admin on Sat Dec 16 15:11:41 GMT 2023 , Edited by admin on Sat Dec 16 15:11:41 GMT 2023

PRIMARY

FDA UNII

J9J6S2CS1G

Created by admin on Sat Dec 16 15:11:41 GMT 2023 , Edited by admin on Sat Dec 16 15:11:41 GMT 2023

PRIMARY

Related Record Type Details


					9AMX4Q13CC

SEGESTERONE ACETATE

PARENT -> METABOLITE