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[(1S,2S,4S,4aR,5R,8aR)-1-[(1S)-1-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-4-benzoyloxy-2-hydroxy-1,2-dimethyl-spiro[decalin-5,2'-oxirane]-4a-yl]methyl benzoate

View entire compound with spectra: 1 MS (GC)

[(1S,2S,4S,4aR,5R,8aR)-1-[(1S)-1-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-4-benzoyloxy-2-hydroxy-1,2-dimethyl-spiro[decalin-5,2'-oxirane]-4a-yl]methyl benzoate
SpectraBase Compound ID AhP24n9OS4r
InChI InChI=1S/C36H40O10/c1-23(37)45-28(17-24-18-30(38)42-20-24)34(3)27-15-10-16-35(21-44-35)36(27,22-43-31(39)25-11-6-4-7-12-25)29(19-33(34,2)41)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,18,27-29,41H,10,15-17,19-22H2,1-3H3/t27-,28+,29+,33+,34+,35+,36+/m1/s1
InChIKey WEMANRXAHPPLNI-HZXVDWMXSA-N
Mol Weight 632.7 g/mol
Molecular Formula C36H40O10
Exact Mass 632.262147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYaIfvdc9gf
Name [(1S,2S,4S,4aR,5R,8aR)-1-[(1S)-1-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-4-benzoyloxy-2-hydroxy-1,2-dimethyl-spiro[decalin-5,2'-oxirane]-4a-yl]methyl benzoate
Alternate Name(s) [(4R,4aR,5S,7S,8S,8aR)-8-[(1S)-1-acetyloxy-2-(5-oxidanylidene-2H-furan-3-yl)ethyl]-7,8-dimethyl-7-oxidanyl-5-(phenylcarbonyloxy)spiro[1,2,3,5,6,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl benzoate [(4R,4aR,5S,7S,8S,8aR)-8-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5-benzoyloxy-7-hydroxy-7,8-dimethylspiro[1,2,3,5,6,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl benzoate benzoic acid [(4R,4aR,5S,7S,8S,8aR)-8-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5-benzoyloxy-7-hydroxy-7,8-dimethyl-4a-spiro[1,2,3,5,6,8a-hexahydronaphthalene-4,2'-oxirane]yl]methyl ester
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Formula C36H40O10
InChI InChI=1S/C36H40O10/c1-23(37)45-28(17-24-18-30(38)42-20-24)34(3)27-15-10-16-35(21-44-35)36(27,22-43-31(39)25-11-6-4-7-12-25)29(19-33(34,2)41)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,18,27-29,41H,10,15-17,19-22H2,1-3H3/t27-,28+,29+,33+,34+,35+,36+/m1/s1
InChIKey WEMANRXAHPPLNI-HZXVDWMXSA-N
Molecular Weight 632.706 g/mol
SMILES O[C@]1(C[C@@]([C@@]2([C@@]([C@]1([C@@](OC(=O)C)(CC1=CC(=O)OC1)[H])C)(CCC[C@@]21OC1)[H])COC(=O)c1ccccc1)(OC(=O)c1ccccc1)[H])C
SPLASH splash10-0a4i-4900000000-c762a0a68df95cfc2913
Source of Spectrum G4-60-1234-5
Wiley ID 1606994