[(2S,9R,10S,11R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
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[(2S,9R,10S,11R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
structure -
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CAS No:
75207-66-8
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Formula:
C22H30O7
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Chemical Name:
[(2S,9R,10S,11R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
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Synonyms:
Longikaurin B;NSC642099;NSC-642099
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CAS No:
[(2S,9R,10S,11R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate Basic Attributes
406.5 g/mol
406.19915329 g/mol
DTXSID80420060
Computed Properties
Molecular Weight:406.5
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:406.19915329
Monoisotopic Mass:406.19915329
Topological Polar Surface Area:113
Heavy Atom Count:29
Complexity:809
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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