Gitoxin,3′,3′′,3′′′,4′′′,16-pentaacetate
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Gitoxin,3′,3′′,3′′′,4′′′,16-pentaacetate
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CAS No:
7242-04-8
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Formula:
C51H74O19
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Chemical Name:
Gitoxin,3′,3′′,3′′′,4′′′,16-pentaacetate
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Synonyms:
Card-20(22)-enolide,16-(acetyloxy)-3-[(O-3,4-di-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3β,5β,16β)-;Gitoxin,3′,3′′,3′′′,4′′′,16-pentaacetate;Gitoxin pentaacetate;(3β,5β,16β)-16-(Acetyloxy)-3-[(O-3,4-di-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;Pengitoxin;Pentaacetogitoxin;Pentaacetylgitoxin;Penta-O-acetylgitoxin;Pentagit;27071-80-3
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CAS No:
Gitoxin,3′,3′′,3′′′,4′′′,16-pentaacetate Basic Attributes
991.134
991.12
230-645-5
15RPL803R9
DTXSID30222713
Characteristics
233
3.9
1.1187 (rough estimate)
151-155 °C
11.89mg/L(temperature not stated)
LD50 in mice (mg/kg): 6.4 i.p.; in rats (mg/kg): 21.0 i.v. (Foerster)
Computed Properties
Molecular Weight:991.1
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:17
Exact Mass:990.48243013
Monoisotopic Mass:990.48243013
Topological Polar Surface Area:233
Heavy Atom Count:70
Complexity:2030
Defined Atom Stereocenter Count:21
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Gitoxin,3′,3′′,3′′′,4′′′,16-pentaacetate
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