[(1R,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate
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[(1R,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate
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CAS No:
88205-90-7
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Formula:
C18H20O6
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Chemical Name:
[(1R,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate
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Synonyms:
oxirapentyn;Oxirapentyn;88205-90-7;BRN 4565790;DTXSID401007998;2H,5aH-Bisoxireno(e,h)-1-benzopyran-6(6aH)-one, tetrahydro-3-(acetyloxy)-2,2-dimethyl-6a-(3-methyl-3-buten-1-ynyl)-, (3-alpha,4ar*,5a-alpha,6a-alpha,7a-alpha,7b-beta)-, (-)-;2,2-Dimethyl-6a-(3-methylbut-3-en-1-yn-1-yl)-6-oxohexahydro-2H,5aH-bisoxireno[e,h][1]benzopyran-3-yl acetate
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CAS No:
[(1R,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate Basic Attributes
332.3 g/mol
332.12598835 g/mol
Computed Properties
Molecular Weight:332.3
XLogP3:1.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:332.12598835
Monoisotopic Mass:332.12598835
Topological Polar Surface Area:77.7
Heavy Atom Count:24
Complexity:739
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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