Ingenol 3,20-dibenzoate
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Ingenol 3,20-dibenzoate
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CAS No:
59086-90-7
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Formula:
C34H36O7
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Chemical Name:
Ingenol 3,20-dibenzoate
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Synonyms:
1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one,6-(benzoyloxy)-4-[(benzoyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-,(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-;1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one,6-(benzoyloxy)-4-[(benzoyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-,[1aR-(1aα,2β,5β,5aβ,6β,8aα,9α,10aα)]-;(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-6-(Benzoyloxy)-4-[(benzoyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one;Ingenol 3,20-dibenzoate;(+)-Ingenol 3,20-dibenzoate;RD 4-2174;NSC 262646;NSC 266220
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:556.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:556.24610348
Monoisotopic Mass:556.24610348
Topological Polar Surface Area:110
Heavy Atom Count:41
Complexity:1160
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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