4-Methyl-3-methoxyestradiol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O2
Molecular Weight	300.4351
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Methyl-3-methoxyestradiol

Structure Search

SMILES

COC1=CC=C2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCC2=C1C

InChI

InChIKey=NGINMLINNBUIBK-JOMPHRNESA-N

InChI=1S/C20H28O2/c1-12-13-4-5-16-15(14(13)6-8-18(12)22-3)10-11-20(2)17(16)7-9-19(20)21/h6,8,15-17,19,21H,4-5,7,9-11H2,1-3H3/t15-,16-,17+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O2
Molecular Weight	300.4351
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:24:24 GMT 2025` Edited by `admin` on `Mon Mar 31 23:24:24 GMT 2025`
Record UNII	9TGD3ABW8N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methoxy-4-methylestra-1,3,5(10)-trien-17-beta-ol

Preferred Name

English

4-Methyl-3-methoxyestradiol

Common Name

English

Estra-1,3,5(10)-trien-17?-ol, 3-methoxy-4-methyl-

Common Name

English

Estra-1,3,5(10)-trien-17-ol, 3-methoxy-4-methyl-, (17?)-

Common Name

English

(8R,9S,13S,14S,17S)-3-methoxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

Systematic Name

English

Code System Code Type Description

FDA UNII

9TGD3ABW8N

Created by admin on Mon Mar 31 23:24:24 GMT 2025 , Edited by admin on Mon Mar 31 23:24:24 GMT 2025

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EPA CompTox

DTXSID50963954

Created by admin on Mon Mar 31 23:24:24 GMT 2025 , Edited by admin on Mon Mar 31 23:24:24 GMT 2025

PRIMARY

CAS

4787-75-1

Created by admin on Mon Mar 31 23:24:24 GMT 2025 , Edited by admin on Mon Mar 31 23:24:24 GMT 2025

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PUBCHEM

23618340

Created by admin on Mon Mar 31 23:24:24 GMT 2025 , Edited by admin on Mon Mar 31 23:24:24 GMT 2025

PRIMARY