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

[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-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 `Sat Dec 16 18:28:31 GMT 2023` Edited by `admin` on `Sat Dec 16 18:28:31 GMT 2023`
Record UNII	K8E6YWG882
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

Code System Code Type Description

FDA UNII

K8E6YWG882

Created by admin on Sat Dec 16 18:28:32 GMT 2023 , Edited by admin on Sat Dec 16 18:28:32 GMT 2023

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PUBCHEM

122196595

Created by admin on Sat Dec 16 18:28:32 GMT 2023 , Edited by admin on Sat Dec 16 18:28:32 GMT 2023

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