U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H60O6
Molecular Weight 576.8473
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITOGLUSIDE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](C)CC[C@@H](CC)C(C)C

InChI

InChIKey=NPJICTMALKLTFW-OFUAXYCQSA-N
InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H60O6
Molecular Weight 576.8473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:45:01 UTC 2023
Edited
by admin
on Sat Dec 16 16:45:01 UTC 2023
Record UNII
U45VN859W3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SITOGLUSIDE
INN   USAN  
INN   USAN  
Official Name English
WA 184
Code English
AW 10
Code English
CORIANDRINOL
Common Name English
.BETA.-SITOSTEROL-.BETA.-D-GLUCOSIDE
Common Name English
SITOSTEROL 3-O-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
NSC-165962
Code English
AW-10
Code English
DAUCOSTERIN
Common Name English
BSSG
Code English
BETA-SITOSTEROL GLUCOSIDE (DAUCOSTEROL) (CONSTITUENT OF STINGING NETTLE) [DSC]
Common Name English
.BETA.-SITOSTEROL-GLUCOSIDE
Common Name English
ALEXANDRIN
Common Name English
SITOGLUSIDE [USAN]
Common Name English
LYONISIDE
Common Name English
BSS-G
Code English
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.)-STIGMAST-5-EN-3-YL
Common Name English
3.BETA.-(.BETA.-D-GLUCOPYRANOSYLOXY)STIGMAST-5-ENE
Common Name English
DAUCOSTEROL
Common Name English
EU-4906
Code English
WA-184
Code English
DAUCOSTERINE
Common Name English
sitogluside [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C308
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
Code System Code Type Description
WIKIPEDIA
Daucosterol
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
PUBCHEM
5742590
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
CHEBI
67554
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
CAS
474-58-8
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
NSC
165962
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
EVMPD
SUB10542MIG
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
FDA UNII
U45VN859W3
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
MESH
C011015
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID301045674
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
INN
4847
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
ChEMBL
CHEMBL2304043
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
NCI_THESAURUS
C90816
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
SMS_ID
100000083522
Created by admin on Sat Dec 16 16:45:01 UTC 2023 , Edited by admin on Sat Dec 16 16:45:01 UTC 2023
PRIMARY
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