SODIUM 17.BETA.-DIHYDROEQUILIN SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21O5S.Na
Molecular Weight	372.411
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 17.BETA.-DIHYDROEQUILIN SULFATE

Structure Search

SMILES

[Na+].[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])C2=CCC4=C3C=CC(OS([O-])(=O)=O)=C4

InChI

InChIKey=CZFNZYFVJFYZML-UHFFLUDVSA-M

InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16-17,19H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,17+,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H21O5S
Molecular Weight	349.421
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:50:29 UTC 2023` Edited by `admin` on `Fri Dec 15 15:50:29 UTC 2023`
Record UNII	8CC9ET5H86
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SODIUM 17.BETA.-DIHYDROEQUILIN SULFATE

Common Name

English

SODIUM 17.BETA.-DIHYDROEQUILIN SULPHATE

Common Name

English

Code System Code Type Description

PUBCHEM

71316160