(5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one
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![(5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cbbd6fc326924a448bc1f35dce48f7ad.png "(5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one")
(5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one
structure -
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CAS No:
157414-01-2
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Formula:
C28H42O5
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Chemical Name:
(5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one
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Synonyms:
Mer NF8054X;Mer-NF8054X;Mer-NF8054X;157414-01-2;Mer NF8054X;DTXSID60935667;3,5,9,23-Tetrahydroxy-18,22-cycloergosta-6,8(14)-dien-11-one;trihydroxy-[(1S,2R)-1-hydroxy-2,3-dimethyl-butyl]-dimethyl-[?]one;18,22-Cycloergosta-6,8(14)-dien-11-one, 3,5,9,23-tetrahydroxy-, (3.beta.,5.beta.,9.beta.,13xi,17.alpha.,22R,23S)-
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CAS No:
(5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one Basic Attributes
458.6 g/mol
458.30322444 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:2.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:458.30322444
Monoisotopic Mass:458.30322444
Topological Polar Surface Area:98
Heavy Atom Count:33
Complexity:921
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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