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Carbonolide B hemiacetal

View entire compound with spectra: 2 MS (GC)

Carbonolide B hemiacetal
SpectraBase Compound ID 5CrA2oyMeuM
InChI InChI=1S/C22H32O8/c1-13-10-16-11-19(25)30-21(16)22(27-4)18(29-15(3)23)12-20(26)28-14(2)8-6-5-7-9-17(13)24/h5-7,9,13-14,16,18-19,21-22,25H,8,10-12H2,1-4H3/b6-5+,9-7+/t13-,14-,16-,18-,19?,21+,22+/m1/s1
InChIKey JBTRLTRQFJMQGT-ONRKLMDLSA-N
Mol Weight 424.5 g/mol
Molecular Formula C22H32O8
Exact Mass 424.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgRe07ZP2GX
Name Carbonolide B hemiacetal
Alternate Name(s) (3aR,5R,12R,16R,17S,17aS)-2-hydroxy-17-methoxy-5,12-dimethyl-6,14-dioxo-2,3,3a,5,6,11,12,14,15,16,17,17a-dodecahydro-4H-furo[2,3-f]oxacyclohexadecin-16-yl acetate Acetic acid[(1R,3R,5E,7E,10R,14R,15S,16S)-18-hydroxy-15-methoxy-3,10-dimethyl-4,12-dioxo-11,17-dioxabicyclo[14.3.0]nonadeca-5,7-dien-14-yl]ester Acetic acid[(1R,3R,5E,7E,10R,14R,15S,16S)-18-hydroxy-4,12-diketo-15-methoxy-3,10-dimethyl-11,17-dioxabicyclo[14.3.0]nonadeca-5,7-dien-14-yl]ester [(1R,3R,5E,7E,10R,14R,15S,16S)-15-methoxy-3,10-dimethyl-18-oxidanyl-4,12-bis(oxidanylidene)-11,17-dioxabicyclo[14.3.0]nonadeca-5,7-dien-14-yl]ethanoate [(1R,3R,5E,7E,10R,14R,15S,16S)-18-hydroxy-15-methoxy-3,10-dimethyl-4,12-dioxo-11,17-dioxabicyclo[14.3.0]nonadeca-5,7-dien-14-yl]acetate Acetic acid [(1R,3R,5E,7E,10R,14R,15S,16S)-18-hydroxy-15-methoxy-3,10-dimethyl-4,12-dioxo-11,17-dioxabicyclo[14.3.0]nonadeca-5,7-dien-14-yl] ester [(1R,3R,5E,7E,10R,14R,15S,16S)-18-hydroxy-15-methoxy-3,10-dimethyl-4,12-dioxo-11,17-dioxabicyclo[14.3.0]nonadeca-5,7-dien-14-yl] acetate [(1R,3R,5E,7E,10R,14R,15S,16S)-15-methoxy-3,10-dimethyl-18-oxidanyl-4,12-bis(oxidanylidene)-11,17-dioxabicyclo[14.3.0]nonadeca-5,7-dien-14-yl] ethanoate
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Formula C22H32O8
InChI InChI=1S/C22H32O8/c1-13-10-16-11-19(25)30-21(16)22(27-4)18(29-15(3)23)12-20(26)28-14(2)8-6-5-7-9-17(13)24/h5-7,9,13-14,16,18-19,21-22,25H,8,10-12H2,1-4H3/b6-5+,9-7+/t13-,14-,16-,18-,19?,21+,22+/m1/s1
InChIKey JBTRLTRQFJMQGT-ONRKLMDLSA-N
Molecular Weight 424.490 g/mol
SMILES OC1O[C@@]2([C@]([C@@](CC(O[C@@](C\C=C\C=C\C([C@@](C[C@@]2(C1)[H])(C)[H])=O)(C)[H])=O)(OC(=O)C)[H])(OC)[H])[H]
SPLASH splash10-002b-7930000000-bc43f603c5df6ddef751
Source of Spectrum J-59-3122-2
Wiley ID 1379235