3,3-Ethylenedioxy-17α-(prop-1-ynyl)estra-5,9(11)-dien-17β-ol

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 3,3-Ethylenedioxy-17α-(prop-1-ynyl)estra-5,9(11)-dien-17β-ol

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C3C4=C(CC[C@@]23[H])CC5(CC4)OCCO5

InChI

InChIKey=IABDMPHKMZWPIN-MLNNCEHLSA-N

InChI=1S/C23H30O3/c1-3-9-22(24)11-8-20-19-5-4-16-15-23(25-13-14-26-23)12-7-17(16)18(19)6-10-21(20,22)2/h6,19-20,24H,4-5,7-8,10-15H2,1-2H3/t19-,20+,21+,22+/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 `Sat Dec 16 19:47:20 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:20 GMT 2023`
Record UNII	69X4PJS3P8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3-Ethylenedioxy-17α-(prop-1-ynyl)estra-5,9(11)-dien-17β-ol

Systematic Name

English

Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (17β)-

Systematic Name

English

(17β)-17-Hydroxy-17-(1-propynyl)estra-5(10),9(11)-dien-3-one cyclic 1,2-ethanediyl acetal

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001115169

Created by admin on Sat Dec 16 19:47:20 GMT 2023 , Edited by admin on Sat Dec 16 19:47:20 GMT 2023

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CAS

84371-69-7

Created by admin on Sat Dec 16 19:47:20 GMT 2023 , Edited by admin on Sat Dec 16 19:47:20 GMT 2023

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PUBCHEM

11875718

Created by admin on Sat Dec 16 19:47:20 GMT 2023 , Edited by admin on Sat Dec 16 19:47:20 GMT 2023

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FDA UNII

69X4PJS3P8

Created by admin on Sat Dec 16 19:47:20 GMT 2023 , Edited by admin on Sat Dec 16 19:47:20 GMT 2023

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