4-METHYL ESTRADIOL 17-VALERATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O3
Molecular Weight	370.525
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYL ESTRADIOL 17-VALERATE

Structure Search

SMILES

CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(C=CC(O)=C4C)[C@H]3CC[C@]12C

InChI

InChIKey=HYULKAMCRUYZJT-KVMFQRFPSA-N

InChI=1S/C24H34O3/c1-4-5-6-23(26)27-22-12-10-20-19-8-7-16-15(2)21(25)11-9-17(16)18(19)13-14-24(20,22)3/h9,11,18-20,22,25H,4-8,10,12-14H2,1-3H3/t18-,19-,20+,22+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O3
Molecular Weight	370.525
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 21:26:35 GMT 2025` Edited by `admin` on `Mon Mar 31 21:26:35 GMT 2025`
Record UNII	5PDP2ZZR0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYL ESTRADIOL 17-VALERATE

Common Name

English

ESTRADIOL VALERATE IMPURITY D [EP IMPURITY]

Preferred Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 4-METHYL-, 17-PENTANOATE, (17.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71587988

Created by admin on Mon Mar 31 21:26:35 GMT 2025 , Edited by admin on Mon Mar 31 21:26:35 GMT 2025

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CAS

1359847-37-2

Created by admin on Mon Mar 31 21:26:35 GMT 2025 , Edited by admin on Mon Mar 31 21:26:35 GMT 2025

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EPA CompTox

DTXSID30159611

Created by admin on Mon Mar 31 21:26:35 GMT 2025 , Edited by admin on Mon Mar 31 21:26:35 GMT 2025

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FDA UNII

5PDP2ZZR0N

Created by admin on Mon Mar 31 21:26:35 GMT 2025 , Edited by admin on Mon Mar 31 21:26:35 GMT 2025

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