[(4R,5R,6S)-4,5,16,16-tetramethyl-10-oxo-12-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-yl] acetate
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[(4R,5R,6S)-4,5,16,16-tetramethyl-10-oxo-12-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-yl] acetate
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CAS No:
142566-59-4
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Formula:
C24H28O6
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Chemical Name:
[(4R,5R,6S)-4,5,16,16-tetramethyl-10-oxo-12-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-yl] acetate
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Synonyms:
12-Acetoxycalanolide A;(+)-12-Acetoxycalanolide A;NSC674897;142566-59-4;NSC 674897;CHEMBL93010;(+-)-Calanolide A 12-acetate;DTXSID90162085;NSC-674897;(tetramethyl-oxo-propyl-[?]yl) acetate;2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 12-(acetyloxy)-11,12-dihydro-6,6,10,11-tetramethyl-4-propyl-, (10R-(10alpha,11beta,12alpha))-;2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 12-(acetyloxy)-11,12-dihydro-6,6,10,11-tetramethyl-4-propyl-, [10R-(10.alpha.,11.beta.,12.alpha.)]-
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CAS No:
[(4R,5R,6S)-4,5,16,16-tetramethyl-10-oxo-12-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-yl] acetate Basic Attributes
412.5 g/mol
412.18858861 g/mol
674897
DTXSID90162085
Computed Properties
Molecular Weight:412.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:412.18858861
Monoisotopic Mass:412.18858861
Topological Polar Surface Area:71.1
Heavy Atom Count:30
Complexity:768
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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