Lanatosid C
(6-(6-(6-((12,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta(A)Phenanthren-3-Yl)Oxy)-4-Hydroxy-2-Methyloxan-3-Yl)Oxy-4-Hydroxy-2-Methyloxan-3-Yl)Oxy-2-Methyl-3-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxyoxan-4-Yl) Acetate
Grundinformationen
- CAS
17575-22-3- Standard-SMILES
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O- InChIKey
JAYAGJDXJIDEKI-UHFFFAOYSA-N- Summenformel
- C49H76O20
- Durchschnittliche Molmasse
- 985,1 g/mol
- Monoisotopische Masse
- 984,49299481
Überblick
lanatoside-C has been reported in Digitalis viridiflora, Digitalis lanata, and Digitalis parviflora with data available.
Namen und Bezeichner
- Bevorzugter Name
- (6-(6-(6-((12,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta(A)Phenanthren-3-Yl)Oxy)-4-Hydroxy-2-Methyloxan-3-Yl)Oxy-4-Hydroxy-2-Methyloxan-3-Yl)Oxy-2-Methyl-3-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxyoxan-4-Yl) Acetate
- IUPAC
- [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
- Lokaler Name
- Lanatosid C
- Englischer Name
- LANATOSIDE C
- Summenformel
- C49H76O20
- Molmasse
- 985.12
Namen und Synonyme
[6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate(6-(6-(6-((12,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta(A)Phenanthren-3-Yl)Oxy)-4-Hydroxy-2-Methyloxan-3-Yl)Oxy-4-Hydroxy-2-Methyloxan-3-Yl)Oxy-2-Methyl-3-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxyoxan-4-Yl) AcetateRefChem:1050650CelanideDigilanide CC49H76O20CeglunatCard-20(22)-enolide, 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3beta,5beta,12beta)-NSC7533Card-20(22)-enolide,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)-MLS002207214CHEMBL110309
Weitere Namen anzeigen
cedilanidAllocorCelanidisolanidNSC 7533isolanideCeglunateCeladigal
SCHEMBL18223891DTXSID20860209HMS5084F18NSC119991s5554AKOS026750171SMP1_000175NCGC00166137-01
Datenbank-Bezeichner
- CAS
17575-22-3- PubChem CID
- 3879
- DTXSID
DTXSID20860209- ChEMBL
CHEMBL110309
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 288 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 20
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 69
- Formalladung
- 0
- Komplexität
- 1.870
Physikochemische Eigenschaften
- Schmelzpunkt
- 272 · 272-274°C
- Siedepunkt
- 741.7 °C · 741.7°C (rough estimate)
- Dichte
- 1.42 · 1.42±0.1 g/cm3 (20 ºC 760 Torr)
- Brechungsindex
- 1.763 · 1.7630 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 50 · DMSO:50.0(Max Conc. mg/mL);50.75(Max Conc. mM)Ethanol:2.0(Max Conc. mg/mL);2.03(Max Conc. mM)
- pka
- 12.89 · 12.89±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChIKey
- JAYAGJDXJIDEKI-PTGWOZRBSA-N
- LogP
- 0.07 · 0.070
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- RTECS-Nr.
- OE2100000
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 36/37/39-45
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 OralSTOT RE 2
Chemie und Industrie
Anwendungen
VerwendenGlycosides
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