(1S,9S,10S,11S,12S,13S,14R)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-[(2R,3S)-3-methyloxirane-2-carbonyl]-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one
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![(1S,9S,10S,11S,12S,13S,14R)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-[(2R,3S)-3-methyloxirane-2-carbonyl]-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/41af930572e343dc93711c18c8b5dab6.png "(1S,9S,10S,11S,12S,13S,14R)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-[(2R,3S)-3-methyloxirane-2-carbonyl]-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one")
(1S,9S,10S,11S,12S,13S,14R)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-[(2R,3S)-3-methyloxirane-2-carbonyl]-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one
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CAS No:
808750-39-2
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Formula:
C21H24O9
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Chemical Name:
(1S,9S,10S,11S,12S,13S,14R)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-[(2R,3S)-3-methyloxirane-2-carbonyl]-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one
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Synonyms:
mensacarcin;Mensacarcin;GNF-Pf-1439;808750-39-2;CHEMBL588946;NSC718798;NSC-718798;NCI60_040920;HY-122534;CS-0086399
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CAS No:
(1S,9S,10S,11S,12S,13S,14R)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-[(2R,3S)-3-methyloxirane-2-carbonyl]-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one Basic Attributes
420.4 g/mol
420.14203234 g/mol
718798
Computed Properties
Molecular Weight:420.4
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:420.14203234
Monoisotopic Mass:420.14203234
Topological Polar Surface Area:138
Heavy Atom Count:30
Complexity:786
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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