Daphnetoxin,12-[(1-oxo-2,4-decadienyl)oxy]-,[12β(2E,4E)]-
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![Daphnetoxin,12-[(1-oxo-2,4-decadienyl)oxy]-,[12β(2E,4E)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6f44f3ab6a52483880e4466b8ba14b71.png "Daphnetoxin,12-[(1-oxo-2,4-decadienyl)oxy]-,[12β(2E,4E)]-")
Daphnetoxin,12-[(1-oxo-2,4-decadienyl)oxy]-,[12β(2E,4E)]-
structure -
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CAS No:
55306-11-1
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Formula:
C37H44O10
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Chemical Name:
Daphnetoxin,12-[(1-oxo-2,4-decadienyl)oxy]-,[12β(2E,4E)]-
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Synonyms:
2,4-Decadienoic acid,(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester,(2E,4E)-;Daphnetoxin,12-[(1-oxo-2,4-decadienyl)oxy]-,[12β(2E,4E)]-;(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl (2E,4E)-2,4-decadienoate;Gnididin;6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one,3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-[(1-oxo-2,4-decadienyl)oxy]-2-phenyl-,[2S-[2α,3aβ,3bβ,3cβ,4aβ,5β,5aβ,8aα,8bα,9α,10β(2E,4E),10aβ]]-;NSC 238942
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CAS No:
Computed Properties
Molecular Weight:648.7
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:648.29344760
Monoisotopic Mass:648.29344760
Topological Polar Surface Area:144
Heavy Atom Count:47
Complexity:1410
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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