[10-formyl-1,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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[10-formyl-1,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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CAS No:
36405-85-3
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Formula:
C26H34O9
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Chemical Name:
[10-formyl-1,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
36405-85-3;NSC135079;3-(acetyloxy)-1,5,14,16-tetrahydroxy-19-oxobufa-20,22-dienolide;DTXSID70957754;NSC-135079;BERSALDEGENIN,16B-HYDROXY- 3-ACETATE
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CAS No:
[10-formyl-1,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
490.5 g/mol
490.22028266 g/mol
135079
Computed Properties
Molecular Weight:490.5
XLogP3:0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:490.22028266
Monoisotopic Mass:490.22028266
Topological Polar Surface Area:151
Heavy Atom Count:35
Complexity:1000
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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