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Casearlucin B

View entire compound with spectra: 1 MS (GC)

Casearlucin B
SpectraBase Compound ID BYLHKlTogYA
InChI InChI=1S/C27H38O8/c1-9-15(2)10-11-26(7)16(3)12-23(31-8)27-21(13-20(14-22(26)27)32-17(4)28)24(33-18(5)29)35-25(27)34-19(6)30/h9,13,16,20,22-25H,1-2,10-12,14H2,3-8H3/t16-,20-,22+,23+,24+,25-,26-,27?/m0/s1
InChIKey BZVDIOLNPIHYMD-JZROYMRKSA-N
Mol Weight 490.6 g/mol
Molecular Formula C27H38O8
Exact Mass 490.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8AE0VuiNML
Name Casearlucin B
Alternate Name(s) (1R,3S,5R,6aR,7S,8S,10R)-1,3-bis(acetyloxy)-10-methoxy-7,8-dimethyl-7-(3-methylene-4-pentenyl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl acetate 2,18,19-Triacetoxy-18,19-epoxy-6-hydroxy-cleroda-3,13(16),14-triene Acetic acid[(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetoxy-10-methoxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenz[d]isobenzofuran-5-yl]ester Acetic acid[(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl]ester [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetoxy-10-methoxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl]acetate [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl]acetate [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl]ethanoate Acetic acid [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] ester [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] acetate [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetoxy-10-methoxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] acetate [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] ethanoate
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Formula C27H38O8
InChI InChI=1S/C27H38O8/c1-9-15(2)10-11-26(7)16(3)12-23(31-8)27-21(13-20(14-22(26)27)32-17(4)28)24(33-18(5)29)35-25(27)34-19(6)30/h9,13,16,20,22-25H,1-2,10-12,14H2,3-8H3/t16-,20-,22+,23+,24+,25-,26-,27?/m0/s1
InChIKey BZVDIOLNPIHYMD-JZROYMRKSA-N
Molecular Weight 490.593 g/mol
SMILES C123C([C@](OC(=O)C)(O[C@@]3(OC(=O)C)[H])[H])=C[C@@](C[C@@]1([C@](CCC(C=C)=C)(C)[C@](C[C@]2(OC)[H])(C)[H])[H])(OC(=O)C)[H]
SPLASH splash10-052r-9042200000-48375b500166a81d3af4
Source of Spectrum G4-65-106-2
Wiley ID 1609414