SODIUM BETA-SITOSTERYL SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H49O4S.Na
Molecular Weight	516.752
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM BETA-SITOSTERYL SULFATE

Structure Search

SMILES

[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CC[C@@H](CC)C(C)C

InChI

InChIKey=QXVTUXGXNLUDJZ-AVUMXBEWSA-M

InChI=1S/C29H50O4S.Na/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(33-34(30,31)32)14-16-28(22,5)27(24)15-17-29(25,26)6;/h10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,30,31,32);/q;+1/p-1/t20-,21-,23+,24+,25-,26+,27+,28+,29-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C29H49O4S
Molecular Weight	493.762
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:42:51 GMT 2023` Edited by `admin` on `Sat Dec 16 01:42:51 GMT 2023`
Record UNII	I289C8TPSV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM BETA-SITOSTERYL SULFATE

Official Name

English

PHYTOCOHESINE

Brand Name

English

STIGMAST-5-EN-3-OL, HYDROGEN SULFATE, SODIUM SALT, (3.BETA.)-

Common Name

English

PHYTOCOHESINE PSS

Brand Name

English

SODIUM STIGMAST-5-EN-3.BETA.-YL SULFATE

Common Name

English

SODIUM BETA-SITOSTERYL SULFATE [INCI]

Common Name

English

STIGMAST-5-EN-3-OL, 3-(HYDROGEN SULFATE), SODIUM SALT (1:1), (3.BETA.)-

Common Name

English

Code System Code Type Description

DAILYMED

I289C8TPSV