Azadirachtin B
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Azadirachtin B
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CAS No:
106500-25-8
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Formula:
C33H42O14
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Chemical Name:
Azadirachtin B
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Synonyms:
7H,8H-Furo[3′,4′:4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylic acid,octahydro-3,8-dihydroxy-4-methyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-,5,10a-dimethyl ester,(2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-;1H,7H-Naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid,octahydro-3,8-dihydroxy-4-methyl-10-[(2-methyl-1-oxo-2-butenyl)oxy]-4-(3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-,dimethyl ester,[2aR-[2aα,3β,4β(1aR*,2S*,3aS*,6aS*,7S*,7aS*),4aβ,5β,7aS*,8β,10β(E),10aα,10bβ]]-;1H,7H-Naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid,octahydro-3,8-dihydroxy-4-methyl-10-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-,dimethyl ester,(2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-;2,7-Methanofuro[2,3-b]oxireno[e]oxepin,1H,7H-naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid deriv.;3-Tigloylazadirachtol;Deacetylazadirachtinol;Azadirachtin B;94410-21-6;95507-03-2
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CAS No:
Computed Properties
Molecular Weight:662.7
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:662.25745601
Monoisotopic Mass:662.25745601
Topological Polar Surface Area:189
Heavy Atom Count:47
Complexity:1490
Defined Atom Stereocenter Count:16
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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