[(2R)-3-[(1R)-1-acetyloxyheptyl]-10-[(S)-acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate
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[(2R)-3-[(1R)-1-acetyloxyheptyl]-10-[(S)-acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate
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CAS No:
27646-47-5
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Formula:
C32H36O14
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Chemical Name:
[(2R)-3-[(1R)-1-acetyloxyheptyl]-10-[(S)-acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate
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Synonyms:
27646-47-5;Rubratoxin B, triacetate;BRN 1614884;DTXSID60950299;{4-(acetyloxy)-5-[1-(acetyloxy)heptyl]-1,3,6,8-tetraoxo-3,4,5,6,8,9,10,11-octahydro-1h-cyclonona[1,2-c:5,6-c']difuran-10-yl}(6-oxo-3,6-dihydro-2h-pyran-2-yl)methyl acetate
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CAS No:
[(2R)-3-[(1R)-1-acetyloxyheptyl]-10-[(S)-acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate Basic Attributes
644.6 g/mol
644.21050582 g/mol
Computed Properties
Molecular Weight:644.6
XLogP3:3.2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:14
Exact Mass:644.21050582
Monoisotopic Mass:644.21050582
Topological Polar Surface Area:192
Heavy Atom Count:46
Complexity:1430
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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