Gestodene ketal

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O3
Molecular Weight	354.4825
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C=C[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CCC5(CC4=CC[C@@]23[H])OCCO5

InChI

InChIKey=HZXDOQZXJLBJRY-ZCPXKWAGSA-N

InChI=1S/C23H30O3/c1-3-21-10-7-18-17-8-12-23(25-13-14-26-23)15-16(17)5-6-19(18)20(21)9-11-22(21,24)4-2/h2,5,9,11,17-20,24H,3,6-8,10,12-15H2,1H3/t17-,18+,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O3
Molecular Weight	354.4825
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:59:25 GMT 2023` Edited by `admin` on `Sat Dec 16 19:59:25 GMT 2023`
Record UNII	USW6SFY5LJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Gestodene ketal

Common Name

English

(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynylspiro[1,2,4,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol

Systematic Name

English

13-ethylspiro(18,19-dinor-17α-pregna-5,15-dien-20-yne-3,2′-[1,3]dioxolan)-17-ol and 13-ethylspiro(18,19-dinor-17α-pregna-5(10),15-dien-20-yne-3,2′-[1,3]dioxolan)-17-ol

Systematic Name

English

Gestodene EP Impurity J

Common Name

English

18,19-Dinorpregna-5,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, cyclic 1,2-ethanediyl acetal, (17α)-

Systematic Name

English

Code System Code Type Description

FDA UNII

USW6SFY5LJ

Created by admin on Sat Dec 16 19:59:25 GMT 2023 , Edited by admin on Sat Dec 16 19:59:25 GMT 2023

PRIMARY

PUBCHEM

131865249

Created by admin on Sat Dec 16 19:59:25 GMT 2023 , Edited by admin on Sat Dec 16 19:59:25 GMT 2023

PRIMARY

CAS

104933-99-5

Created by admin on Sat Dec 16 19:59:25 GMT 2023 , Edited by admin on Sat Dec 16 19:59:25 GMT 2023

PRIMARY

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GESTODENE

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