17.ALPHA.-ETHYNYL-5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL-3-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30O5S
Molecular Weight	382.514
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17.ALPHA.-ETHYNYL-5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL-3-SULFATE

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](CC[C@H]34)OS(O)(=O)=O)[C@@H]1CC[C@@]2(O)C#C

InChI

InChIKey=CQXVLZHFSPUCGL-VIVHBNLFSA-N

InChI=1S/C20H30O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,13-18,21H,4-12H2,2H3,(H,22,23,24)/t13-,14-,15+,16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H30O5S
Molecular Weight	382.514
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:52:01 GMT 2025` Edited by `admin` on `Mon Mar 31 22:52:01 GMT 2025`
Record UNII	Y4HC5VV6TP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17.ALPHA.-ETHYNYL-5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL-3-SULFATE

Common Name

English

17.ALPHA.-ETHYNYL-5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL 3-SULFATE

Preferred Name

English

19-NORPREGN-20-YNE-3,17-DIOL, 3-(HYDROGEN SULFATE), (3.ALPHA.,5.BETA.,17.ALPHA.)-

Common Name

English

Code System Code Type Description

PUBCHEM

122196591

Created by admin on Mon Mar 31 22:52:01 GMT 2025 , Edited by admin on Mon Mar 31 22:52:01 GMT 2025

PRIMARY

FDA UNII

Y4HC5VV6TP

Created by admin on Mon Mar 31 22:52:01 GMT 2025 , Edited by admin on Mon Mar 31 22:52:01 GMT 2025

PRIMARY

CAS

109293-07-4

Created by admin on Mon Mar 31 22:52:01 GMT 2025 , Edited by admin on Mon Mar 31 22:52:01 GMT 2025

PRIMARY

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