Chem
J-GLOBAL ID：202207005965064855   Nikkaji number：J3.776.011K

Mateoside I

マテオシドI
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： C53H86O21
Molecular formula furigana： C53-H86-O21
Molecular weight： 1059.250
InChI： InChI=1S/C53H86O21/c1-22-11-16-53(48(66)74-46-42(65)39(62)36(59)28(71-46)21-68-44-40(63)38(61)35(58)27(19-54)70-44)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)72-47-43(34(57)26(55)20-67-47)73-45-41(64)37(60)33(56)24(3)69-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3/t22-,23+,24+,26+,27-,28-,29?,30?,31+,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44-,45+,46+,47+,50+,51-,52-,53+/m1/s1
InChI key： CDWDAIGCOKEKSJ-PLBKYUPASA-N
SMILES： C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O
Systematic name  (3)：
  • 3β-[(2-O-α-L-ラムノピラノシル-α-L-アラビノピラノシル)オキシ]ウルサ-12-エン-28-酸6-O-β-D-グルコピラノシル-β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,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}メチル)オキサン-2-イル(1S,2R,4aS,6aS,6bR,10S,12aR,14bS)-10-{[(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-1,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (1S,2R,4aS,6aS,6bR,10S,12aR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (4)：
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,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}メチル)オキサン-2-イル(1S,2R,4aS,6aS,6bR,10S,12aR,14bS)-10-{[(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-1,2,6a,6b,9,9,12a-ヘプタメチル-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-テトラデカヒドロ-1H-ピセン-4a-カルボキシラート
  • マテオシドI
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (1S,2R,4aS,6aS,6bR,10S,12aR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate
  • Mateoside I
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