[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(hydroxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
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![[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(hydroxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bac7d9b1e18d46df9a1fea5e7840e588.png "[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(hydroxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate")
[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(hydroxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
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CAS No:
123313-58-6
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Formula:
C27H40O9
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Chemical Name:
[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(hydroxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
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CAS No:
[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(hydroxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate Basic Attributes
508.60100
508.26723285 g/mol
Computed Properties
Molecular Weight:508.6
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:508.26723285
Monoisotopic Mass:508.26723285
Topological Polar Surface Area:132
Heavy Atom Count:36
Complexity:930
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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