[(3S,4R,6R,8S,9S,10R,11R,14S,15R)-4,10,15-trihydroxy-5,5,10,15-tetramethyl-2-oxo-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate
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[(3S,4R,6R,8S,9S,10R,11R,14S,15R)-4,10,15-trihydroxy-5,5,10,15-tetramethyl-2-oxo-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate
structure -
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CAS No:
29708-80-3
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Formula:
C22H32O7
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Chemical Name:
[(3S,4R,6R,8S,9S,10R,11R,14S,15R)-4,10,15-trihydroxy-5,5,10,15-tetramethyl-2-oxo-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate
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Synonyms:
Ketolyoniol A;7-Ketolyoniol A;29708-80-3;7,9a-alpha-Methano-9aH-cyclopenta(b)heptalene-10(1H)-one, 2,3,3a-beta,4,4a-beta,5,6,7-beta,8,9,10,11-dodecahydro-2-beta,3-beta-epoxy-4-alpha,8-alpha,11-beta,11a-beta-tetrahydroxy-1,1,4,8-tetramethyl-, 11-acetate;Grayanotoxan-7-one, 6-(acetyloxy)-2,3-epoxy-5,10,16-trihydroxy-, (2-beta,3-beta,6-beta)- (9CI)
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CAS No:
[(3S,4R,6R,8S,9S,10R,11R,14S,15R)-4,10,15-trihydroxy-5,5,10,15-tetramethyl-2-oxo-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate Basic Attributes
408.5 g/mol
408.21480336 g/mol
Computed Properties
Molecular Weight:408.5
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:408.21480336
Monoisotopic Mass:408.21480336
Topological Polar Surface Area:117
Heavy Atom Count:29
Complexity:809
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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