(2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate
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(2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate
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CAS No:
73211-11-7
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Formula:
C22H30O5
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Chemical Name:
(2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate
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Synonyms:
Shikoccin;MLS002701797;NSC302979;73211-11-7;Isodon Shikokianus compound A;CHEMBL1699228;DTXSID20316392;ISODON SHIKOKIANUS, COMPOUND A;NSC-302979;NCI60_002557;SMR001565391
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CAS No:
(2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate Basic Attributes
374.5 g/mol
374.20932405 g/mol
302979
DTXSID20316392
Computed Properties
Molecular Weight:374.5
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:374.20932405
Monoisotopic Mass:374.20932405
Topological Polar Surface Area:80.7
Heavy Atom Count:27
Complexity:731
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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