Dodecanoic acid ingenol ester
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Dodecanoic acid ingenol ester
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CAS No:
54706-70-6
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Formula:
C32H50O7
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Chemical Name:
Dodecanoic acid ingenol ester
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Synonyms:
Dodecanoic acid ingenol ester;13-Oxyingenol dodecanoat;13-Oxyingenol Dodecanoate;Dodecanoic acid, (1aR,2S,5R,5aR,6S,8aS,9R,10aS)-1,1a,2,5,5a,6,9,10-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-10aH-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-10a-yl ester
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CAS No:
Computed Properties
Molecular Weight:546.7
XLogP3:4.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:546.35565393
Monoisotopic Mass:546.35565393
Topological Polar Surface Area:124
Heavy Atom Count:39
Complexity:1010
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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