3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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![3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0fc814151226473aab568c5f572db2eb.png "3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one")
3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
structure -
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CAS No:
1926-68-7
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Formula:
C23H34O7
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Chemical Name:
3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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Synonyms:
DTXSID90940921;1926-68-7;3,5,12,14,19-Pentahydroxycard-20(22)-enolide
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CAS No:
3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Basic Attributes
422.5 g/mol
422.23045342 g/mol
Computed Properties
Molecular Weight:422.5
XLogP3:-0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:422.23045342
Monoisotopic Mass:422.23045342
Topological Polar Surface Area:127
Heavy Atom Count:30
Complexity:782
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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