Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)-
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![Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6d6f99d5e9464f59aa6f0b08de9685df.png "Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)-")
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)-
structure -
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CAS No:
11018-89-6
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Formula:
C29H44O12.8H2O
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Chemical Name:
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)-
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Synonyms:
Card-20(22)-enolide,3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-,hydrate (1:8),(1β,3β,5β,11α)-;Card-20(22)-enolide,3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-,octahydrate,(1β,3β,5β,11α)-;Ouabain octahydrate;Strophantine octahydrate;1320-52-1
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CAS No:
Description
white to off-white crystalline powder Ouabain is a white crystalline solid.
11,15>]Heptadec-14-yl]-5-hydrofuran-2-one, hydrate is a cardenolide glycoside.
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)- Basic Attributes
728.77
584.283264
211-139-3
DTXSID7040730
29389090
Characteristics
215
-2.00
white powder
1.5±0.1 g/cm3
130 °C
838.2±65.0 °C at 760 mmHg
272.9±27.8 °C
1.655
soluble in water.
+2C to +8C
Peritoneal-mouse LD50: 1.213 mg/kg; intravenous-mouse LD50: 3.750 mg/kg
Flammable, spicy and irritating smoke emitted from the fire
Safety Information
III
6.1(b)
UN 1544 6.1/PG 1
3
23/25-33
45
RN3850000
T
Treasury is low temperature, ventilated, dry; stored separately from food raw materials
Missing Phrase - N15.00950417-P260-P304 + P340 + P312-P403 + P233
H301 + H331-H373
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)- Use and Manufacturing
5HT2 receptor antagonist
Computed Properties
Molecular Weight:602.7
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:4
Exact Mass:602.29384152
Monoisotopic Mass:602.29384152
Topological Polar Surface Area:208
Heavy Atom Count:42
Complexity:1080
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, hydrate (1:8), (1β,3β,5β,11α)-
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