20-Deoxyingenol 3-angelate
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20-Deoxyingenol 3-angelate
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CAS No:
75567-38-3
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Formula:
C25H34O5
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Chemical Name:
20-Deoxyingenol 3-angelate
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Synonyms:
2-Butenoic acid,2-methyl-,(1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,4,7,9-pentamethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester,(2Z)-;2-Butenoic acid,2-methyl-,1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,4,7,9-pentamethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester,[1aR-[1aα,2β,5β,5aβ,6β(Z),8aα,9α,10aα]]-;1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecene,2-butenoic acid deriv.;3-Angelyl-20-deoxyingenol;Euphorbia factor H8;PEP 006;20-Deoxyingenol 3-angelate;3β-O-Angeloyl-20-deoxyingenol;3-Angeloyl-20-deoxyingenol
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CAS No:
Computed Properties
Molecular Weight:414.5
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:414.24062418
Monoisotopic Mass:414.24062418
Topological Polar Surface Area:83.8
Heavy Atom Count:30
Complexity:909
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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