[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate
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![[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1ec2cf54f50c4f6397ecbf8bef7f032a.png "[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate")
[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate
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CAS No:
51292-61-6
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Formula:
C20H30O7
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Chemical Name:
[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate
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Synonyms:
florigrandin;Florigrandin;51292-61-6;DTXSID60965585;3-Hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 2-methylbutanoate;Butanoic acid, 2-methyl-, dodecahydro-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxoazuleno(6,5-b)furan-7-yl ester, (3R-(3alpha,3abeta,4aalpha,7beta(R*),7abeta,8beta,9abeta))-
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CAS No:
[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate Basic Attributes
382.4 g/mol
382.19915329 g/mol
Computed Properties
Molecular Weight:382.4
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:382.19915329
Monoisotopic Mass:382.19915329
Topological Polar Surface Area:110
Heavy Atom Count:27
Complexity:646
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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