[(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
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![[(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9af456ca8ab9414ebb76291e84ed0000.png "[(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate")
[(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
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CAS No:
121480-72-6
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Formula:
C29H44O11
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Chemical Name:
[(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
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Synonyms:
121480-72-6;Ajugamarin D 1;DTXSID00923821;4,4a-Bis[(acetyloxy)methyl]-4,5-dihydroxy-8-[2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7,8-dimethyldecahydronaphthalen-1-yl 2-methylbutanoate;Butanoic acid, 2-methyl-, 4,4a-bis((acetyloxy)methyl)-8-(2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)decahydro-4,5-dihydroxy-7,8-dimethyl-1-naphthalenyl ester, (1R-(1alpha(S*),4beta,4abeta,5beta,7beta,8alphaS*),8aalpha))-
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CAS No:
[(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate Basic Attributes
568.7 g/mol
568.28836222 g/mol
Computed Properties
Molecular Weight:568.7
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:568.28836222
Monoisotopic Mass:568.28836222
Topological Polar Surface Area:166
Heavy Atom Count:40
Complexity:1020
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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