Stigmastan-3-β-ol

FUCOSTANOL · Stigmastan-3β-ol · STIGMASTAN-3BETA-OL · SPINASTANOL · SIGMASTANOL · B-SITOSTANOL · Stigmastanol · β-sistostanol

Identifikatoren & physikalische Daten

CAS No.	19466-47-8
Summenformel	C29H52O
Durchschnittliche Molmasse	416,7 g/mol
Monoisotopische Masse	416,40181628 g/mol
SMILES	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIKey	LGJMUZUPVCAVPU-HRJGVYIJSA-N
PubChem CID	241572
ChEMBL	CHEMBL252364
ChEBI	CHEBI:89400
EC No.	201-479-0
DTXSID	DTXSID201016169
Lokaler Name	Stigmastan-3-β-ol

XLogP	10,2
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	6
Schwere Atome	30
Formalladung	0
Komplexität	583
Lipide	Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Stigmasterols and C24-ethyl derivatives [ST0104]
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	137 °C
Siedepunkt	471.9±13.0 °C(Predicted)
Dichte	0.948±0.06 g/cm3(Predicted)
Lagerbedingungen	Refrigerator
Löslichkeit	Acetone (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	15.14±0.70(Predicted)
Farbe	White to Off-White
Merck	8814
InChIKey	LGJMUZUPVCAVPU-FNTHTIGCNA-N
SMILES	[C@@]12([H])CC[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CC[C@@H](CC)C(C)C \|&1:0,4,7,11,13,17,19,22,24,28,r\|
CAS Datenbank	19466-47-8
EPA chemische Informationen	Stigmastan-3.beta.-ol (19466-47-8)

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: Stigmastan-3-ol, (3.beta.,5.alpha.)-Stigmastan-3-ol, (3.beta.,5.alpha.)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Wassergefährdungsklasse (WGK)	-
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	24-26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Aquatic Chronic 4

Stigmastanol is a plant lipid molecule that resembles cholesterol.