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29362-48-9

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Basic Information
CAS No.: 29362-48-9
Name: [(3S,5R,8R,9S,10S,13R,16R,17S)-3-[(2R,4S,5R,6R)-4,5-bis[[(2R,4S,5R,6R) -4,5-dihydroxy-6-methyl-oxan-2-yl]oxy]-6-methyl-oxan-2-yl]oxy-14-hydro xy-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-16-yl] acetate
Article Data: 1
Molecular Structure:
Molecular Structure of 29362-48-9 ([(3S,5R,8R,9S,10S,13R,16R,17S)-3-[(2R,4S,5R,6R)-4,5-bis[[(2R,4S,5R,6R) -4,5-dihydroxy-6-methyl-oxan-2-yl]oxy]-6-methyl-oxan-2-yl]oxy-14-hydro xy-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-16-yl] acetate)
Formula: C43H66 O15
Molecular Weight: 822.988
Synonyms: 5b-Card-20(22)-enolide, 3b-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14,16a-dihydroxy-, 16-acetate (8CI);D-ribo-Hexopyranoside, 3b,14,16a-trihydroxy-5b-card-20(22)-enolide-3O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-, 16-acetate, b- (8CI); 16-Acetyl-16-epigitoxin;16-Acetyl-16a-gitoxin;16-Epigitoxigenin tridigitoxoside-16-acetate; 16-Epigitoxin 16a-acetate
Density: 1.34g/cm3
Boiling Point: 907.1°Cat760mmHg
Flash Point: 265.8°C
Safety: Poison by ingestion and intravenous routes. When heated to decomposition it emits acrid smoke and fumes. See also GITOXIN.
PSA: 209.13000
LogP: 2.78890
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Chemistry

Product Name: Acetylgitoxin-alpha (CAS NO.29362-48-9)


Molecular Formula: C43H66O15
Molecular Weight: 823.09g/mol
Mol File: 29362-48-9.mol
Boiling point: 907.1 °C at 760 mmHg
Flash Point: 265.8 °C
Density: 1.34 g/cm3
Surface Tension: 62 dyne/cm
Enthalpy of Vaporization: 149.73 kJ/mol
XLogP3-AA: 1.6
H-Bond Donor: 5
H-Bond Acceptor: 15
Structure Descriptors of Acetylgitoxin-alpha (CAS NO.29362-48-9):
  IUPAC Name: [(3S,5R,8R,9S,10S,13R,16R,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-14-hydroxy-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-16-yl] acetate

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 520ug/kg (0.52mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 187, 1963.
guinea pig LD50 oral 40mg/kg (40mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 159, Pg. 1, 1966.

Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition it emits acrid smoke and fumes. See also GITOXIN.

Specification

 Acetylgitoxin-alpha , its CAS NO. is 29362-48-9, the synonyms are  Gitoxigenin + zuckerkette wie bei acetyl-digitoxin-alpha ; 5-beta-Card-20(22)-enolide, 3-beta-((O-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)-14,16-alpha-dihydroxy-, 16-acetate .