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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

SMILES

[NH4+].[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=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

Approval Year

Name Type Language
AMMONIUM .BETA.-SITOSTERYL SULFATE
Common Name English
STIGMAST-5-EN-3-OL, 3-(HYDROGEN SULFATE), (3.BETA.)-, AMMONIUM SALT
Systematic Name English
AMMONIUM BETA-SITOSTERYL SULFATE [INCI]
Common Name English
Code System Code Type Description
PUBCHEM
91864829
Created by admin on Sat Dec 16 11:27:02 UTC 2023 , Edited by admin on Sat Dec 16 11:27:02 UTC 2023
PRIMARY
FDA UNII
KW3DXV9636
Created by admin on Sat Dec 16 11:27:02 UTC 2023 , Edited by admin on Sat Dec 16 11:27:02 UTC 2023
PRIMARY