4-Methoxyestradiol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26O3
Molecular Weight	302.4079
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C(OC)=C4CC[C@@]23[H]

InChI

InChIKey=BCWZIZLVBYHFES-PYEWSWHRSA-N

InChI=1S/C19H26O3/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/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H26O3
Molecular Weight	302.4079
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 `Sat Dec 16 15:20:37 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:37 GMT 2023`
Record UNII	R6YV5Q2LKS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Methoxyestradiol

Common Name

English

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

Systematic Name

English

(17β)-4-Methoxyestra-1,3,5(10)-triene-3,17-diol

Systematic Name

English

4-Methoxy 17β-estradiol

Common Name

English

Estra-1,3,5(10)-triene-3,17-diol, 4-methoxy-, (17β)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

68578