3-O-(CARBOXYMETHYL)ESTRONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24O4
Molecular Weight	328.4022
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(OCC(O)=O)C=C4

InChI

InChIKey=XSDCLHQDGODZPZ-WWNBULGVSA-N

InChI=1S/C20H24O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H24O4
Molecular Weight	328.4022
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 05:11:25 GMT 2023` Edited by `admin` on `Sat Dec 16 05:11:25 GMT 2023`
Record UNII	5GZK739RKY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-O-(CARBOXYMETHYL)ESTRONE

Common Name

English

NSC-86467

Code

English

NSC-14491

Code

English

((17-OXOESTRA-1,3,5(10)-TRIEN-3-YL)OXY)-ACETIC ACID

Systematic Name

English

ACETIC ACID, ((17-OXOESTRA-1,3,5(10)-TRIEN-3-YL)OXY)-

Common Name

English

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

Common Name

English

ESTRONE 3-CARBOXYMETHYL ETHER

Common Name

English

Code System Code Type Description

CAS

1428-66-6