Chem
J-GLOBAL ID：200907094385777978   Nikkaji number：J843.319D

Mammoside H2

マンモシドH2
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： C54H92O25
Molecular formula furigana： C54-H92-O25
Molecular weight： 1141.305
InChI： InChI=1S/C54H92O25/c1-10-11-17-20-30-21-18-15-13-12-14-16-19-22-32(56)73-44-40(64)52(78-45-36(60)33(57)26(6)67-53(45)71-30)69-28(8)42(44)77-54-47(75-49(66)25(4)5)46(79-51-38(62)35(59)34(58)31(23-55)72-51)43(29(9)70-54)76-50-39(63)37(61)41(27(7)68-50)74-48(65)24(2)3/h24-31,33-47,50-55,57-64H,10-23H2,1-9H3/t26-,27+,28+,29+,30+,31-,33+,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,50+,51+,52+,53+,54+/m1/s1
InChI key： KGZQTMWOHPPUGU-MPFVERAFSA-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(C)C)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-イソブチリル-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 2-メチルプロパノアート
  • (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 2-methylpropanoate
Other name (3)：
  • マンモシドH2
  • Mammoside H2
  • 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-isobutyryl-3-O-β-D-glucopyranosyl-4-O-(4-O-isobutyryl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-α-L-rhamnopyranose
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