AMMONIUM .BETA.-SITOSTERYL SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H49O4S.H4N
Molecular Weight	511.8
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMMONIUM .BETA.-SITOSTERYL SULFATE

Structure Search

SMILES

[NH4+].CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O)C(C)C

InChI

InChIKey=NONSFOKHPQEECO-AVUMXBEWSA-N

InChI=1S/C29H50O4S.H3N/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);1H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
Count

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

Molecular Formula	C29H50O4S
Molecular Weight	494.77
Charge	0
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 `Tue Apr 01 16:26:19 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:19 GMT 2025`
Record UNII	KW3DXV9636
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMMONIUM .BETA.-SITOSTERYL SULFATE

Common Name

English

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

Preferred Name

English

Code System Code Type Description

PUBCHEM

91864829

Created by admin on Tue Apr 01 16:26:19 GMT 2025 , Edited by admin on Tue Apr 01 16:26:19 GMT 2025

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FDA UNII

KW3DXV9636

Created by admin on Tue Apr 01 16:26:19 GMT 2025 , Edited by admin on Tue Apr 01 16:26:19 GMT 2025

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