2-HYDROXYMETHYLENE ETHISTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O3
Molecular Weight	340.4559
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-HYDROXYMETHYLENE ETHISTERONE

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)\C(C[C@]34C)=C/O

InChI

InChIKey=FYEOMZSZJFOTGQ-GXWGVVPNSA-N

InChI=1S/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O3
Molecular Weight	340.4559
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:05:02 GMT 2023` Edited by `admin` on `Sat Dec 16 19:05:02 GMT 2023`
Record UNII	T23UZG3E4S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYMETHYLENE ETHISTERONE

Common Name

English

TESTOSTERONE, 17-ETHYNYL-2-(HYDROXYMETHYLENE)-

Common Name

English

(17.ALPHA.)-17-HYDROXY-2-(HYDROXYMETHYLENE)PREGN-4-EN-20-YN-3-ONE

Systematic Name

English

PREGN-4-EN-20-YN-3-ONE, 17-HYDROXY-2-(HYDROXYMETHYLENE)-, (17.ALPHA.)-

Systematic Name

English

(1R,3AS,3BR,8E,9AR,9BS,11AS)-1-ETHYNYL-1-HYDROXY-8-(HYDROXYMETHYLIDENE)-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,7H,8H,9H,9AH,9BH,10H,11H,11AH-CYCLOPENTA(A)PHENANTHREN-7-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

T23UZG3E4S