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Lycifuranone C

View entire compound with spectra: 1 MS (GC)

Lycifuranone C
SpectraBase Compound ID ZhVIFpcoQP
InChI InChI=1S/C32H44O8/c1-6-7-8-9-22-17-23(12-10-20-11-13-26(33)28(14-20)37-5)39-31(38-22)25-18-27(34)30(36)19(2)24(25)15-21-16-29(35)40-32(21,3)4/h11,13-14,18,21-23,31,33-34,36H,6-10,12,15-17H2,1-5H3/t21-,22+,23-,31+/m1/s1
InChIKey AOUDTRLIVVMYQC-KWBCDCJNSA-N
Mol Weight 556.7 g/mol
Molecular Formula C32H44O8
Exact Mass 556.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zibePRsgdZ
Name Lycifuranone C
Alternate Name(s) (4R)-4-(3',4'-Dihydroxy-6-{4'-[2''-(4'''-hydroxy-2'''-methoxyphenyl)ethyl]-6'-pentyl-[1,3]dioxan-2'-yl}-2-methylbenzyl-4,5-dihydro-5,5-dimethylfuran-2(3H)-one
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Formula C32H44O8
InChI InChI=1S/C32H44O8/c1-6-7-8-9-22-17-23(12-10-20-11-13-26(33)28(14-20)37-5)39-31(38-22)25-18-27(34)30(36)19(2)24(25)15-21-16-29(35)40-32(21,3)4/h11,13-14,18,21-23,31,33-34,36H,6-10,12,15-17H2,1-5H3/t21-,22+,23-,31+/m1/s1
InChIKey AOUDTRLIVVMYQC-KWBCDCJNSA-N
Molecular Weight 556.696 g/mol
SMILES Oc1c(cc(CC[C@]2(O[C@@](c3c(c(c(c(c3)O)O)C)C[C@]3(C(OC(C3)=O)(C)C)[H])(O[C@](C2)(CCCCC)[H])[H])[H])cc1)OC
SPLASH splash10-002r-0980010000-bd6550ae6c88651c06ba
Source of Spectrum C-88-2368-3
Wiley ID 1590331