[(2R,5R,9S,11S,15S,16R,17R,18R)-2,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] benzoate
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[(2R,5R,9S,11S,15S,16R,17R,18R)-2,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] benzoate
structure -
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CAS No:
79620-39-6
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Formula:
C27H31NO4
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Chemical Name:
[(2R,5R,9S,11S,15S,16R,17R,18R)-2,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] benzoate
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Synonyms:
79620-39-6;Hetisan-1,7,13-triol, 13-benzoate, (1beta,7alpha,13S)-
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CAS No:
[(2R,5R,9S,11S,15S,16R,17R,18R)-2,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] benzoate Basic Attributes
433.5 g/mol
433.22530847 g/mol
Computed Properties
Molecular Weight:433.5
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:433.22530847
Monoisotopic Mass:433.22530847
Topological Polar Surface Area:70
Heavy Atom Count:32
Complexity:929
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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