Clerodendrin A
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Clerodendrin A
structure -
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CAS No:
35481-70-0
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Formula:
C31H42O12
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Chemical Name:
Clerodendrin A
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Synonyms:
Butanoic acid,2-(acetyloxy)-2-methyl-,(1R,2S,3R,4aR,5R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3,4,4a,5,8,8a-hexahydro-3-hydroxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]spiro[naphthalene-1(2H),2′-oxiran]-2-yl ester,(2R)-;Caryoptinol,7,8-didehydro-2-hydroxy-,3-[2-(acetyloxy)-2-methylbutanoate],[2α,3β(R)]-;Clerodendrin A;Butanoic acid,2-(acetyloxy)-2-methyl-,8-(acetyloxy)-8a-[(acetyloxy)methyl]-3,4,4a,5,8,8a-hexahydro-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)spiro[naphthalene-1(2H),2′-oxiran]-2-yl ester,[1R-[1α,2β(R*),3α,4aβ,5β(2S*,3aS*,6aS*),8α,8aα]]-
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CAS No:
Computed Properties
Molecular Weight:606.7
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:12
Exact Mass:606.26762677
Monoisotopic Mass:606.26762677
Topological Polar Surface Area:156
Heavy Atom Count:43
Complexity:1240
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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