Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2R)-
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![Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0c4131e5627a4d27b028467bdc2a4631.png "Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2R)-")
Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2R)-
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CAS No:
93395-31-4
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Formula:
C26H34O12
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Chemical Name:
Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2R)-
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Synonyms:
Butanoic acid,2-hydroxy-2-methyl-3-oxo-,(3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester,(2R)-;Butanoic acid,2-hydroxy-2-methyl-3-oxo-,8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester,[3aR-[3aα,4β(R*),6aα,8β,9aα,9bβ]]-;Azuleno[4,5-b]furan,butanoic acid deriv.
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CAS No:
Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2R)- Basic Attributes
538.54096
538.54
Computed Properties
Molecular Weight:538.5
XLogP3:-1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:538.20502652
Monoisotopic Mass:538.20502652
Topological Polar Surface Area:189
Heavy Atom Count:38
Complexity:1050
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-glucopyranosyloxy)dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2R)-
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