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ANNOGLAXIN
SpectraBase Compound ID KUq6uBGm2W8
InChI InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-12-17-30(38)25-32(40)34-23-22-33(43-34)31(39)21-20-29(37)19-14-18-28(36)16-13-10-11-15-27-24-26(2)42-35(27)41/h24,26,28,30-34,36,38-40H,3-23,25H2,1-2H3/t26-,28+,30-,31+,32+,33+,34+/m0/s1
InChIKey MLGJWMBFVBVZQY-YKAMULJSSA-N
Mol Weight 610.9 g/mol
Molecular Formula C35H62O8
Exact Mass 610.444469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HULgt5RStXx
Name (2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-bis(oxidanyl)tridecyl]oxolan-2-yl]-6,13-bis(oxidanyl)-10-oxidanylidene-tridecyl]-2-methyl-2H-furan-5-one
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Formula C35H62O8
InChI InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-12-17-30(38)25-32(40)34-23-22-33(43-34)31(39)21-20-29(37)19-14-18-28(36)16-13-10-11-15-27-24-26(2)42-35(27)41/h24,26,28,30-34,36,38-40H,3-23,25H2,1-2H3/t26-,28+,30-,31+,32+,33+,34+/m0/s1
InChIKey MLGJWMBFVBVZQY-YKAMULJSSA-N
Molecular Weight 610.873 g/mol
SMILES O[C@@](CCCC(CC[C@]([C@@]1(O[C@@]([C@@](C[C@@](O)(CCCCCCCCCC)[H])(O)[H])(CC1)[H])[H])(O)[H])=O)(CCCCCC=1C(O[C@@](C)(C1)[H])=O)[H]
SPLASH splash10-05ra-0059100000-b42ffaba9df5125404d4
Source of Spectrum G4-62-851-1
Synonyms (2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-dihydroxytridecyl]-2-oxolanyl]-6,13-dihydroxy-10-oxotridecyl]-2-methyl-2H-furan-5-one (2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-dihydroxytridecyl]oxolan-2-yl]-6,13-dihydroxy-10-oxotridecyl]-2-methyl-2H-furan-5-one (2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-dihydroxytridecyl]tetrahydrofuran-2-yl]-6,13-dihydroxy-10-keto-tridecyl]-2-methyl-2H-furan-5-one (2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-dihydroxytridecyl]tetrahydrofuran-2-yl]-6,13-dihydroxy-10-oxo-tridecyl]-2-methyl-2H-furan-5-one Annoglaxin
Wiley ID 1607895