17.ALPHA.-ETHYNYL-5.ALPHA.-ESTRANE-3.BETA.,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.ALPHA.-ESTRANE-3.BETA.,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-WSIJOFGPSA-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-/m0/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 `Wed Apr 02 11:18:35 GMT 2025` Edited by `admin` on `Wed Apr 02 11:18:35 GMT 2025`
Record UNII	K8E6YWG882
Record Status	`Validated (UNII)`
Record Version

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Name

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Language

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

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Code System Code Type Description

FDA UNII

K8E6YWG882

Created by admin on Wed Apr 02 11:18:35 GMT 2025 , Edited by admin on Wed Apr 02 11:18:35 GMT 2025

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PUBCHEM

122196595

Created by admin on Wed Apr 02 11:18:35 GMT 2025 , Edited by admin on Wed Apr 02 11:18:35 GMT 2025

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