[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
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![[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/334c53fbc24e4b6fb9e7242e3f61ac8f.png "[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate")
[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
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CAS No:
123297-95-0
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Formula:
C27H40O9
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Chemical Name:
[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
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Synonyms:
Ajugamarin E 2;123297-95-0;DTXSID10924440;2-{8a-[(Acetyloxy)methyl]-4,8-dihydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl 2-methylbutanoate;Butanoic acid, 2-methyl-, (1S)-2-((1R,4R,4aR,5S,6R,8S,8aR)-8a-((acetyloxy)methyl)octahydro-4,8-dihydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2S)-;Butanoic acid, 2-methyl-, 2-(8a-((acetyloxy)methyl)octahydro-4,8-dihydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (1R-(1alpha,4beta,4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))-
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CAS No:
[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate Basic Attributes
508.6 g/mol
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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