(5R,6S,7R,12R,13S)-12-hydroxy-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,12R,13S)-12-hydroxy-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/20220811/1bd01f2c0db846d9a3e0317bfafe06c0.png "(5R,6S,7R,12R,13S)-12-hydroxy-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,12R,13S)-12-hydroxy-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 -
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CAS No:
209673-38-1
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Formula:
C28H40O4
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Chemical Name:
(5R,6S,7R,12R,13S)-12-hydroxy-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 B;emesterone-B;Emesterone B;209673-38-1;DTXSID30943259;3,11-Dioxo-18,22-cycloergosta-4,6,8(14)-triene-9beta,23S-diol;9,23-Dihydroxy-18,22-cycloergosta-6,8(14)-diene-3,11-dione;hydroxy-[(1S,2R)-1-hydroxy-2,3-dimethyl-butyl]-dimethyl-[?]dione;3,11-Dioxo-18,22-cycloergosta-4,6,8(14)-triene-9.beta.,23S-diol
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CAS No:
(5R,6S,7R,12R,13S)-12-hydroxy-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
440.6 g/mol
440.29265975 g/mol
Computed Properties
Molecular Weight:440.6
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:440.29265975
Monoisotopic Mass:440.29265975
Topological Polar Surface Area:74.6
Heavy Atom Count:32
Complexity:914
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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