4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv.
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![4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv. structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/621647c9d59342fa85cfcd98a93bdadc.png "4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv.")
4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv.
structure -
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CAS No:
61230-25-9
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Formula:
C40H60BO14.Na
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Chemical Name:
4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv.
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Synonyms:
Borate(1-),[(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-,sodium (1:1),(T-4)-;Aplasmomycin;Borate(1-),[(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-,sodium,(T-4)-;4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv.;ICI 122378;Sodium [T-4-(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)]-[1,2,12,18,19,29-hexahydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)-O1,O2,O18,O19]borate(1-);(+)-Aplasmomycin
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CAS No:
4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv. Basic Attributes
798.701
798.397381 g/mol
188EIU3O75
Characteristics
167 Ų
283-285° (dec)
LD50 i.p. in mice: 125 mg/kg (Okami)
D22 +225° (c = 1.24 in chloroform)
Computed Properties
Molecular Weight:798.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:15
Exact Mass:798.3973810
Monoisotopic Mass:798.3973810
Topological Polar Surface Area:167
Heavy Atom Count:56
Complexity:1450
Defined Atom Stereocenter Count:16
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane,aplasmomycin deriv.
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