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(+)-Crassalactone A
SpectraBase Compound ID 6kUjsMYcTcC
InChI InChI=1S/C22H20O6/c23-18(13-11-15-7-3-1-4-8-15)27-17-12-14-19(24)28-22(17)21(26)20(25)16-9-5-2-6-10-16/h1-14,17,20-22,25-26H/b13-11+/t17-,20+,21+,22+/m0/s1
InChIKey GWFOGXDMANDIHC-VTWBULIDSA-N
Mol Weight 380.4 g/mol
Molecular Formula C22H20O6
Exact Mass 380.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 792zFFBeZE7
Name (E)-3-Phenyl-acrylic acid (2S,3S)-2-((1R,2R)-1,2-dihydroxy-2-phenyl-ethyl)-6-oxo-3,6-dihydro-2H-pyran-3-yl ester
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Formula C22H20O6
InChI InChI=1S/C22H20O6/c23-18(13-11-15-7-3-1-4-8-15)27-17-12-14-19(24)28-22(17)21(26)20(25)16-9-5-2-6-10-16/h1-14,17,20-22,25-26H/b13-11+/t17-,20+,21+,22+/m0/s1
InChIKey GWFOGXDMANDIHC-VTWBULIDSA-N
Molecular Weight 380.396 g/mol
SMILES O[C@@]([C@]([C@@]1(OC(=O)C=C[C@@]1(OC(\C=C\c1ccccc1)=O)[H])[H])(O)[H])(c1ccccc1)[H]
SPLASH splash10-001j-0900000000-25b9a71a4c7651532856
Source of Spectrum G4-69-1731-1
Synonyms 5-[Cinnamoyloxy]-6-[2'-phenyl-1',2'-dihydroxyethyl]-5,6-dihydropyran-2(2H)-one Crassalactone A (E)-3-phenyl-2-propenoic acid [(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-6-oxo-2,3-dihydropyran-3-yl] ester [(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-3-phenylprop-2-enoate [(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenyl-ethyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-3-phenylprop-2-enoate [(2S,3S)-2-[(1R,2R)-1,2-bis(oxidanyl)-2-phenyl-ethyl]-6-oxidanylidene-2,3-dihydropyran-3-yl] (E)-3-phenylprop-2-enoate
Wiley ID 1694582