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Lysocellin sodium salt

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Lysocellin sodium salt
SpectraBase Compound ID I8yoDVm51Gn
InChI InChI=1S/C34H60O10.Na/c1-11-24(28(39)22(8)27(38)23(9)29-18(4)14-20(6)33(40,43-29)17-26(36)37)30-19(5)15-31(10,42-30)34(41)21(7)16-32(13-3,44-34)25(35)12-2;/h18-25,27,29-30,35,38,40-41H,11-17H2,1-10H3,(H,36,37);/q;+1/p-1/t18-,19-,20+,21+,22-,23-,24-,25-,27+,29-,30-,31-,32+,33-,34+;/m0./s1
InChIKey HRNJCHBMUIABQU-JHMSAOMYSA-M
Mol Weight 650.8 g/mol
Molecular Formula C34H59NaO10
Exact Mass 650.400592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44dY6t45mw6
Name Lysocellin sodium salt
Alternate Name(s) Lysocellin sodium salt 2-[(2S,3R,5S,6S)-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyl-2-oxolanyl]-3,5-dimethyl-2-oxolanyl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2-hydroxy-3,5 -dimethyl-2-oxanyl]acetic acid sodium salt 2-[(2S,3R,5S,6S)-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2-hydroxy-3,5 -dimethyloxan-2-yl]acetic acid sodium salt 2-[(2S,3R,5S,6S)-6-[(1S,2S,3S,5R)-5-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-1,3-dimethyl-4-oxo- Heptyl]-2-hydroxy-3,5-dimethyl-tetrahydropyran-2-yl]ace tic acid sodium salt 2-[(2S,3R,5S,6S)-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-3-methyl-2-oxidanyl-5-[(1S)-1-oxidanylpropyl]oxolan-2-yl]-3,5-dimethyl-oxolan-2-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl ]-3,5-dimethyl-2-oxidanyl-oxan-2-yl]ethanoic acid sodium salt
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Formula C34H59NaO10
InChI InChI=1S/C34H60O10.Na/c1-11-24(28(39)22(8)27(38)23(9)29-18(4)14-20(6)33(40,43-29)17-26(36)37)30-19(5)15-31(10,42-30)34(41)21(7)16-32(13-3,44-34)25(35)12-2;/h18-25,27,29-30,35,38,40-41H,11-17H2,1-10H3,(H,36,37);/q;+1/p-1/t18-,19-,20+,21+,22-,23-,24-,25-,27+,29-,30-,31-,32+,33-,34+;/m0./s1
InChIKey HRNJCHBMUIABQU-JHMSAOMYSA-M
Molecular Weight 650.826 g/mol
SMILES [Na+].O[C@]1(O[C@]([C@]([C@@]([C@@](C([C@@]([C@]2(O[C@]([C@@]3(O[C@]([C@@](O)(CC)[H])(CC)C[C@]3(C)[H])O)(C[C@@]2(C)[H])C)[H])(CC)[H])=O)(C)[H])(O)[H])(C)[H])([C@](C[C@]1(C)[H])(C)[H])[H])CC([O-])=O
SPLASH splash10-056r-0000649000-90c6b337c6d7546f87fb
Source of Spectrum F-52-563-1
Wiley ID 794543