U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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-METHOXYESTRONE

SMILES

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

InChI

InChIKey=PUEXVLNGOBYUEW-BFDPJXHCSA-N
InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,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 Sat Dec 16 17:03:54 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:54 GMT 2023
Record UNII
EX27GM9MHY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHOXYESTRONE
Common Name English
(3AS,3BR,9BS,11AS)-7-HYDROXY-6-METHOXY-11A-METHYL-1H,2H,3H,3AH,3BH,4H,5H,9BH,10H,11H,11AH-CYCLOPENTA(A)PHENANTHREN-1-ONE
Systematic Name English
3-HYDROXY-4-METHOXYESTRA-1,3,5(10)-TRIEN-17-ONE
Systematic Name English
(8R,9S,13S,14S)-3-HYDROXY-4-METHOXY-13-METHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA(A)PHENANTHREN-17-ONE
Systematic Name English
4-HYDROXYESTRONE-4-METHYL ETHER
Common Name English
ESTRONE, 4-METHOXY-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
4-Methoxyestrone
Created by admin on Sat Dec 16 17:03:54 GMT 2023 , Edited by admin on Sat Dec 16 17:03:54 GMT 2023
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CAS
58562-33-7
Created by admin on Sat Dec 16 17:03:54 GMT 2023 , Edited by admin on Sat Dec 16 17:03:54 GMT 2023
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EPA CompTox
DTXSID40904316
Created by admin on Sat Dec 16 17:03:54 GMT 2023 , Edited by admin on Sat Dec 16 17:03:54 GMT 2023
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FDA UNII
EX27GM9MHY
Created by admin on Sat Dec 16 17:03:54 GMT 2023 , Edited by admin on Sat Dec 16 17:03:54 GMT 2023
PRIMARY
PUBCHEM
194066
Created by admin on Sat Dec 16 17:03:54 GMT 2023 , Edited by admin on Sat Dec 16 17:03:54 GMT 2023
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CHEBI
136972
Created by admin on Sat Dec 16 17:03:54 GMT 2023 , Edited by admin on Sat Dec 16 17:03:54 GMT 2023
PRIMARY