Sitogluside

HCID 5742590CAS 474-58-8
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Grundinformationen

Standard-SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIKey
NPJICTMALKLTFW-OFUAXYCQSA-N
Summenformel
C35H60O6
Durchschnittliche Molmasse
576,8 g/mol
Monoisotopische Masse
576,43898963

Namen und Bezeichner

Bevorzugter Name
Sitogluside
IUPAC
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Namen und Synonyme

DaucosterolSitogluside474-58-8Eleutheroside ADaucosterinAlexandrinCoriandrinolbeta-Sitosterol glucosideDoursterolBSSGSterolinSitoglusidum
Weitere Namen anzeigen
beta-DaucosterolSitoglusidobeta-Sitosteryl glucosideDaucosterineWA 184EU-4906Sitosteryl glycosideAW 10

Datenbank-Bezeichner

CAS
474-58-8
PubChem CID
5742590
DTXSID
DTXSID301045674
ChEMBL
CHEMBL506678
ChEBI
CHEBI:67554
UNII
U45VN859W3
EC Number
685-415-0
Nikkaji
J5.961G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,7
Polarare Oberfläche (TPSA)
99,4 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
9
Schwere Atome
41

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (39 of 39) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 39 of 39 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 39 of 39 reports by companies.；There are 0 notifications provided by 0 of 39 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

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