Asclepin
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Asclepin
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CAS No:
36573-63-4
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Formula:
C31H42O10
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Chemical Name:
Asclepin
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Synonyms:
Card-20(22)-enolide,2,3-[[(2S,3S,4S,6R)-4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-,(2α,3β,5α)-;(2α,3β,5α)-2,3-[[(2S,3S,4S,6R)-4-(Acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide;Asclepin;Card-20(22)-enolide,2,3-[[4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-,[2α(2S,3S,4S,6R),3β,5α]-;Asclepiadin;1395-13-7
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CAS No:
Characteristics
138
1.5
1.1606 (rough estimate)
308.5°C
Celiac-rat LDL0: 15 mg/kg
Flammable; decomposes by heating to release irritating fumes
Computed Properties
Molecular Weight:574.7
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:574.27779753
Monoisotopic Mass:574.27779753
Topological Polar Surface Area:138
Heavy Atom Count:41
Complexity:1170
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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