2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, SODIUM SULFATE, (17.BETA.)-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H27O7S.Na
Molecular Weight	446.49
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, SODIUM SULFATE, (17.BETA.)-(±)-

Structure Search

SMILES

[Na+].COC1=C(OC)C(OC)=C2CCC3=C(CC[C@]4(C)[C@H](CC[C@@H]34)OS([O-])(=O)=O)C2=C1

InChI

InChIKey=XSXZXMBCJCZSKF-SMJUEESBSA-M

InChI=1S/C21H28O7S.Na/c1-21-10-9-12-13(16(21)7-8-18(21)28-29(22,23)24)5-6-14-15(12)11-17(25-2)20(27-4)19(14)26-3;/h11,16,18H,5-10H2,1-4H3,(H,22,23,24);/q;+1/p-1/t16-,18-,21-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H27O7S
Molecular Weight	423.5
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:00:37 GMT 2025` Edited by `admin` on `Wed Apr 02 10:00:37 GMT 2025`
Record UNII	YQZ6X9LS7J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3,4-TRIMETHOXY ESTR-1,3,5(10),8-TETRAENE-17 BETA OL, HEMISULFATE ESTER, SODIUM SALT, DL-

Preferred Name

English

2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, SODIUM SULFATE, (17.BETA.)-(±)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10177833

Created by admin on Wed Apr 02 10:00:37 GMT 2025 , Edited by admin on Wed Apr 02 10:00:37 GMT 2025

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PUBCHEM

71587055

Created by admin on Wed Apr 02 10:00:37 GMT 2025 , Edited by admin on Wed Apr 02 10:00:37 GMT 2025

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FDA UNII

YQZ6X9LS7J

Created by admin on Wed Apr 02 10:00:37 GMT 2025 , Edited by admin on Wed Apr 02 10:00:37 GMT 2025

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CAS

23257-47-8

Created by admin on Wed Apr 02 10:00:37 GMT 2025 , Edited by admin on Wed Apr 02 10:00:37 GMT 2025

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