(3aR,7S,8aR)-6-[(1R)-1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
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![(3aR,7S,8aR)-6-[(1R)-1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/370d5f52684e4399bcb6cb112982523b.png "(3aR,7S,8aR)-6-[(1R)-1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one")
(3aR,7S,8aR)-6-[(1R)-1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
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CAS No:
26791-72-0
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Formula:
C17H22O5
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Chemical Name:
(3aR,7S,8aR)-6-[(1R)-1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
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Synonyms:
2H-Cyclohepta[b]furan-2-one,6-[(1R)-1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-,(3aR,7S,8aR)-;Xanthumin;2H-Cyclohepta[b]furan-2-one,3,3a,4,7,8,8a-hexahydro-6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylene-,acetate,(3aR,7S,8aR)-;2H-Cyclohepta[b]furan-2-one,6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-,[3aR-[3aα,6(R*),7β,8aα]]-;(3aR,7S,8aR)-6-[(1R)-1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
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CAS No:
(3aR,7S,8aR)-6-[(1R)-1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one Basic Attributes
306.4 g/mol
306.35
DTXSID40331800
Computed Properties
Molecular Weight:306.4
XLogP3:1.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:306.14672380
Monoisotopic Mass:306.14672380
Topological Polar Surface Area:69.7
Heavy Atom Count:22
Complexity:545
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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