[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbutanoate
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![[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9ecd1f09bf2046f7ad5ab5c51e6a452c.png "[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbutanoate")
[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbutanoate
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CAS No:
63979-73-7
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Formula:
C28H40O7
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Chemical Name:
[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbutanoate
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Synonyms:
63979-73-7;i-Valeryl-k-strophanthidin;k-Strophanthidin, isovaleryl-;BRN 0067858;5-beta-Card-20(22)-enolide, 5,14-dihydroxy-3-beta-(3-methyl-1-oxobutoxy)-19-oxo-, (3-beta,5-beta)-;DTXSID70981559;5,14-Dihydroxy-3-[(3-methylbutanoyl)oxy]-19-oxocard-20(22)-enolide
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CAS No:
[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbutanoate Basic Attributes
488.6 g/mol
488.27740361 g/mol
Computed Properties
Molecular Weight:488.6
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:488.27740361
Monoisotopic Mass:488.27740361
Topological Polar Surface Area:110
Heavy Atom Count:35
Complexity:942
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-3-carboxylate
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[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
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[2-oxo-2-(4-phenylphenyl)ethyl] 3-methylbutanoate Formula
4376-32-3
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2-chloroethyl 3-methylbutanoate Formula
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[3-[2-(tert-butylamino)acetyl]-5-(3-methylbutanoyloxy)phenyl] 3-methylbutanoate Formula
152504-55-7
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(4-bromophenyl) 3-methylbutanoate Structure
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2,2-dimethylpentyl 3-methylbutanoate Structure
5458-62-8
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