(17?)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO3
Molecular Weight	341.444
Optical Activity	( + )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (17?)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile

Structure Search

SMILES

C[C@]12CC=C3[C@@H](CCC4=C3CCC5(C4)OCCO5)[C@@H]1CC[C@]2(O)C#N

InChI

InChIKey=ITBGBOBQGVJJRT-FYQPLNBISA-N

InChI=1S/C21H27NO3/c1-19-7-4-16-15-5-9-21(24-10-11-25-21)12-14(15)2-3-17(16)18(19)6-8-20(19,23)13-22/h4,17-18,23H,2-3,5-12H2,1H3/t17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO3
Molecular Weight	341.444
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 `Wed Apr 02 20:01:01 GMT 2025` Edited by `admin` on `Wed Apr 02 20:01:01 GMT 2025`
Record UNII	5W4C8HTZ53
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(17?)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile

Common Name

English

(8S,13S,14S,17R)-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile

Preferred Name

English

Estra-5(10),9(11)-diene-17-carbonitrile, 3,3-[1,2-ethanediylbis(oxy)]-17-hydroxy-, (17?)-

Systematic Name

English

Code System Code Type Description

CAS

33300-19-5

Created by admin on Wed Apr 02 20:01:01 GMT 2025 , Edited by admin on Wed Apr 02 20:01:01 GMT 2025

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FDA UNII

5W4C8HTZ53

Created by admin on Wed Apr 02 20:01:01 GMT 2025 , Edited by admin on Wed Apr 02 20:01:01 GMT 2025

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PUBCHEM

11024303

Created by admin on Wed Apr 02 20:01:01 GMT 2025 , Edited by admin on Wed Apr 02 20:01:01 GMT 2025

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