17.BETA.-HYDROXYESTRA-1,3,5(10),9(11)-TETRAEN-3-YL BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26O3
Molecular Weight	374.4721
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17.BETA.-HYDROXYESTRA-1,3,5(10),9(11)-TETRAEN-3-YL BENZOATE

Structure Search

SMILES

C[C@]12CC=C3[C@@H](CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C34)[C@@H]1CC[C@@H]2O

InChI

InChIKey=SNVGCHQTFKPUSL-FVEXOFTDSA-N

InChI=1S/C25H26O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,13,15,21-23,26H,7,9,11-12,14H2,1H3/t21-,22+,23+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H26O3
Molecular Weight	374.4721
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 `Mon Mar 31 21:38:27 GMT 2025` Edited by `admin` on `Mon Mar 31 21:38:27 GMT 2025`
Record UNII	A3H6UN167V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17.BETA.-HYDROXYESTRA-1,3,5(10),9(11)-TETRAEN-3-YL BENZOATE

Systematic Name

English

ESTRADIOL BENZOATE IMPURITY F [EP IMPURITY]

Preferred Name

English

ESTRA-1,3,5(10),9(11)-TETRAENE-3,17.BETA.-DIOL, 3-BENZOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

A3H6UN167V

Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025

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PUBCHEM

71587361

Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025

PRIMARY

CAS

95870-51-2

Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025

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EPA CompTox

DTXSID00241996

Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025

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