Chem
J-GLOBAL ID：200907016414474466   Nikkaji number：J843.318F

Mammoside H1

マンモシドH1
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C55H94O25
Molecular formula furigana： C55-H94-O25
Molecular weight： 1155.332
InChI： InChI=1S/C55H94O25/c1-10-12-18-21-31-22-19-16-14-13-15-17-20-23-33(57)74-45-41(65)53(79-46-37(61)34(58)27(6)68-54(46)72-31)70-29(8)43(45)78-55-48(76-50(67)26(5)11-2)47(80-52-39(63)36(60)35(59)32(24-56)73-52)44(30(9)71-55)77-51-40(64)38(62)42(28(7)69-51)75-49(66)25(3)4/h25-32,34-48,51-56,58-65H,10-24H2,1-9H3/t26-,27+,28-,29-,30-,31-,32+,34-,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,51-,52-,53-,54-,55-/m0/s1
InChI key： OJXJWZSDVZTHOV-ONJIRZPLSA-N
SMILES： CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H](C)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)[C@@H](C)CC)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O1
Systematic name  (3)：
  • 1-O,3-O-[(1,2-ジデオキシ-β-D-フコピラノース-2,1-ジイルオキシ)[(S)-1-ペンチル-11-オキソウンデカン-1,11-ジイル]]-4-O-[2-O-[(S)-2-メチルブチリル]-3-O-β-D-グルコピラノシル-4-O-(4-O-イソブチリル-α-L-ラムノピラノシル)-α-L-ラムノピラノシル]-α-L-ラムノピラノース
  • (2S,3R,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-6-メチル-5-[(2-メチルプロパノイル)オキシ]オキサン-2-イル]オキシ}-6-メチル-2-{[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-トリヒドロキシ-6,24-ジメチル-20-オキソ-10-ペンチル-2,7,9,21,25-ペンタオキサトリシクロ[20.3.1.03,8]ヘキサコサン-23-イル]オキシ}-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-3-イル (2S)-2-メチルブタノアート
  • (2S,3R,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-6-methyl-2-{[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl (2S)-2-methylbutanoate
Other name (3)：
  • マンモシドH1
  • Mammoside H1
  • 1-O,3-O-[(1,2-Dideoxy-β-D-fucopyranose-2,1-diyloxy)[(S)-1-pentyl-11-oxoundecane-1,11-diyl]]-4-O-[2-O-[(S)-2-methylbutyryl]-3-O-β-D-glucopyranosyl-4-O-(4-O-isobutyryl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-α-L-rhamnopyranose
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