(E)-2-Hydroxymethyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-acetoxy-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester
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(E)-2-Hydroxymethyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-acetoxy-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester
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CAS No:
72947-94-5
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Formula:
C22H28O8
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Chemical Name:
(E)-2-Hydroxymethyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-acetoxy-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester
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Synonyms:
eupalinin A;CHEMBL258867
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CAS No:
(E)-2-Hydroxymethyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-acetoxy-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester Basic Attributes
420.45292
420.178
Computed Properties
Molecular Weight:420.5
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:420.17841785
Monoisotopic Mass:420.17841785
Topological Polar Surface Area:112
Heavy Atom Count:30
Complexity:825
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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