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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O3
Molecular Weight	354.4825
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O)=CC=C4C3=CC[C@]12C

InChI

InChIKey=JBBVWVSEQQRIJR-FBPBVXOASA-N

InChI=1S/C23H30O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,12,14,19-21,24H,3-6,8,10-11,13H2,1-2H3/t19-,20+,21+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O3
Molecular Weight	354.4825
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 21:23:59 GMT 2025` Edited by `admin` on `Mon Mar 31 21:23:59 GMT 2025`
Record UNII	67MH38V5WN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.DELTA.9,11-DEHYDRO-17.BETA.-ESTRADIOL 17-VALERATE

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

ESTRADIOL VALERATE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

71315313

Created by admin on Mon Mar 31 21:23:59 GMT 2025 , Edited by admin on Mon Mar 31 21:23:59 GMT 2025

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CAS

95959-20-9

Created by admin on Mon Mar 31 21:23:59 GMT 2025 , Edited by admin on Mon Mar 31 21:23:59 GMT 2025

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EPA CompTox

DTXSID50242039

Created by admin on Mon Mar 31 21:23:59 GMT 2025 , Edited by admin on Mon Mar 31 21:23:59 GMT 2025

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FDA UNII

67MH38V5WN

Created by admin on Mon Mar 31 21:23:59 GMT 2025 , Edited by admin on Mon Mar 31 21:23:59 GMT 2025

PRIMARY