3BETA, 5ALPHA-TETRAHYDROSEGESTERONE ACETATE

Details

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

SHOW SMILES / InChI

Structure of 3BETA, 5ALPHA-TETRAHYDROSEGESTERONE ACETATE

Structure Search

SMILES

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

InChI

InChIKey=IPAZNHSEEFSYSF-CGDAUVCTSA-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/h16-21,26H,1,5-12H2,2-4H3/t16-,17-,18-,19+,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H34O4
Molecular Weight	374.5137
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:07:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:07:03 GMT 2023`
Record UNII	F226V6K88Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3BETA, 5ALPHA-TETRAHYDROSEGESTERONE ACETATE

Common Name

English

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

Systematic Name

English

3.BETA., 5.ALPHA.-THNES

Common Name

English

3.BETA., 5.ALPHA.-TETRAHYDRONESTORONE

Common Name

English

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

Systematic Name

English

3.BETA., 5.ALPHA.-TETRAHYDROSEGESTERONE ACETATE

Common Name

English

SEGESTERONE ACETATE METABOLITE (3.BETA., 5.ALPHA.-TETRAHYDROSEGESTERONE ACETATE)

Common Name

English

Code System Code Type Description

PUBCHEM

155804766

Created by admin on Sat Dec 16 15:07:03 GMT 2023 , Edited by admin on Sat Dec 16 15:07:03 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

F226V6K88Q

Created by admin on Sat Dec 16 15:07:03 GMT 2023 , Edited by admin on Sat Dec 16 15:07:03 GMT 2023

PRIMARY

Related Record Type Details


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SEGESTERONE ACETATE

PARENT -> METABOLITE