(1R,3S,5S,8R,9S,10R,13R,14S,17R)-1,3,5,14-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
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![(1R,3S,5S,8R,9S,10R,13R,14S,17R)-1,3,5,14-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/619a9662d16348f9bb81a005bbdceb8d.png "(1R,3S,5S,8R,9S,10R,13R,14S,17R)-1,3,5,14-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde")
(1R,3S,5S,8R,9S,10R,13R,14S,17R)-1,3,5,14-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
structure -
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CAS No:
23044-69-1
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Formula:
C24H32O7
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Chemical Name:
(1R,3S,5S,8R,9S,10R,13R,14S,17R)-1,3,5,14-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
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Synonyms:
Bersaldegenin;23044-69-1;DTXSID60945726;1,3,5,14-Tetrahydroxy-19-oxobufa-20,22-dienolide
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CAS No:
(1R,3S,5S,8R,9S,10R,13R,14S,17R)-1,3,5,14-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Basic Attributes
432.5 g/mol
432.21480336 g/mol
Computed Properties
Molecular Weight:432.5
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:432.21480336
Monoisotopic Mass:432.21480336
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:866
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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