ESTRONE 3-METHYL ETHER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24O2
Molecular Weight	284.3927
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC)C=C4

InChI

InChIKey=BCWWDWHFBMPLFQ-VXNCWWDNSA-N

InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H24O2
Molecular Weight	284.3927
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Elucidation of the dissociation pathways of electro-ionized estrone.	2010 Apr 15	20209664
Elucidation of the decomposition pathways of protonated and deprotonated estrone ions: application to the identification of photolysis products.	2010 Oct 30	20872633

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:45:41 GMT 2023` Edited by `admin` on `Fri Dec 15 19:45:41 GMT 2023`
Record UNII	4SMZ4A51IJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRONE 3-METHYL ETHER

Common Name

English

3-METHOXYESTRA-1,3,5(10)TRIENE-17-ONE

Systematic Name

English

NSC-88911

Code

English

3-METHOXYOESTRA-1,3,5(10)-TRIEN-17-ONE

Common Name

English

OESTRONE METHYL ETHER

Common Name

English

ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-METHOXY

Common Name

English

(+)-ESTRONE 3-METHYL ETHER

Common Name

English

3-METHOXYESTRONE

Common Name

English

3-O-METHYLESTRONE

Common Name

English

(+)-ESTRONE METHYL ETHER

Common Name

English

3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ONE

Systematic Name

English

3-METHOXYESTRA-1,3,5-TRIEN-17-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

4SMZ4A51IJ