4-Hydroxyestrone 3-methyl ether

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24O3
Molecular Weight	300.3921
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Hydroxyestrone 3-methyl ether

Structure Search

SMILES

COC1=C(O)C2=C(C=C1)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC2

InChI

InChIKey=XITPEPUPAYFVDV-BFDPJXHCSA-N

InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(22-2)18(21)14(11)4-3-13(12)15(19)6-8-17(19)20/h5,7,12-13,15,21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H24O3
Molecular Weight	300.3921
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:00:36 GMT 2025` Edited by `admin` on `Mon Mar 31 23:00:36 GMT 2025`
Record UNII	HZU75D3HRA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-O-Methyl-4-hydroxyestrone

Preferred Name

English

4-Hydroxyestrone 3-methyl ether

Common Name

English

4-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Systematic Name

English

ESTRA-1,3,5(10)-TRIEN-17-ONE, 4-HYDROXY-3-METHOXY-

Systematic Name

English

4-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one

Systematic Name

English

(3aS,3bR,9bS,11aS)-6-hydroxy-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one

Systematic Name

English

Code System Code Type Description

FDA UNII

HZU75D3HRA

Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025

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PUBCHEM

14475491

Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025

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EPA CompTox

DTXSID70975170

Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025

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CAS

5976-62-5

Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025

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