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

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

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 `Sat Dec 16 09:49:53 GMT 2023` Edited by `admin` on `Sat Dec 16 09:49:53 GMT 2023`
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

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

Common Name

English

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

Common Name

English

Code System Code Type Description

PUBCHEM

122196591

Created by admin on Sat Dec 16 09:49:53 GMT 2023 , Edited by admin on Sat Dec 16 09:49:53 GMT 2023

PRIMARY

FDA UNII

Y4HC5VV6TP

Created by admin on Sat Dec 16 09:49:53 GMT 2023 , Edited by admin on Sat Dec 16 09:49:53 GMT 2023

PRIMARY

CAS

109293-07-4

Created by admin on Sat Dec 16 09:49:53 GMT 2023 , Edited by admin on Sat Dec 16 09:49:53 GMT 2023

PRIMARY

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