12-Deoxyphorbol 13-isobutyrate
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12-Deoxyphorbol 13-isobutyrate
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CAS No:
25090-74-8
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Formula:
C24H34O6
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Chemical Name:
12-Deoxyphorbol 13-isobutyrate
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Synonyms:
Propanoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester;Propanoic acid,2-methyl-,1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester,[1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9aα)]-;Isobutyric acid,9a-ester with 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one;5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-,9a-isobutyrate;9aH-Cyclopropa[3,4]benz[1,2-e]azulene,propanoic acid deriv.;12-Deoxyphorbol 13-isobutyrate
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CAS No:
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:418.5
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:418.23553880
Monoisotopic Mass:418.23553880
Topological Polar Surface Area:104
Heavy Atom Count:30
Complexity:869
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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