[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate
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[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate
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CAS No:
81776-99-0
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Formula:
C28H35BrO5S
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Chemical Name:
[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate
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Synonyms:
NSC319732;81776-99-0;DTXSID90317679;NSC-319732;SHIKOCCIN (THIOL ADDUCT OF - PARTIAL STEREO)
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CAS No:
[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate Basic Attributes
563.5 g/mol
562.13886 g/mol
319732
DTXSID90317679
Computed Properties
Molecular Weight:563.5
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:562.13886
Monoisotopic Mass:562.13886
Topological Polar Surface Area:106
Heavy Atom Count:35
Complexity:877
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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