(5R,6S,7R,12S,13S,18R)-12,18-dihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione
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![(5R,6S,7R,12S,13S,18R)-12,18-dihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/61d183709d8b46f087afa0956052f19c.png "(5R,6S,7R,12S,13S,18R)-12,18-dihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione")
(5R,6S,7R,12S,13S,18R)-12,18-dihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione
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CAS No:
209673-37-0
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Formula:
C28H40O5
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Chemical Name:
(5R,6S,7R,12S,13S,18R)-12,18-dihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione
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Synonyms:
emesterone A;emesterone-A;Emesterone A;209673-37-0;DTXSID70943258;5,9,23-Trihydroxy-18,22-cycloergosta-6,8(14)-diene-3,11-dione;3,11-Dioxo-18,22-cycloergosta-4,6,8(14)-triene-5beta,9beta,23S-triol;dihydroxy-[(1S,2R)-1-hydroxy-2,3-dimethyl-butyl]-dimethyl-[?]dione;3,11-Dioxo-18,22-cycloergosta-4,6,8(14)-triene-5.beta.,9.beta.,23S-triol
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CAS No:
(5R,6S,7R,12S,13S,18R)-12,18-dihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione Basic Attributes
456.6 g/mol
456.28757437 g/mol
Computed Properties
Molecular Weight:456.6
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:456.28757437
Monoisotopic Mass:456.28757437
Topological Polar Surface Area:94.8
Heavy Atom Count:33
Complexity:963
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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