Chem
J-GLOBAL ID:200907048495974254   Nikkaji number:J2.030.985G

Hydrocotyloside VII

ヒドロコチロシドVII
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: C57H92O27
Molecular formula furigana: C57-H92-O27
Molecular weight: 1209.336
InChI: InChI=1S/C57H92O27/c1-22(61)77-46-47(78-23(2)62)57(21-60)25(16-52(46,3)4)24-10-11-31-54(7)14-13-32(53(5,6)30(54)12-15-55(31,8)56(24,9)44(73)45(57)74)82-51-43(84-50-40(71)37(68)35(66)28(18-59)80-50)41(72)42(83-49-39(70)36(67)34(65)27(17-58)79-49)29(81-51)20-76-48-38(69)33(64)26(63)19-75-48/h10,25-51,58-60,63-74H,11-21H2,1-9H3/t25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43+,44-,45+,46-,47-,48-,49-,50-,51-,54-,55+,56-,57-/m0/s1
InChI key: MSLBXGKQOYSFRU-MBOAOJDSSA-N
SMILES: CC(=O)O[C@H]1[C@H](OC(=O)C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
Systematic name  (3):
  • 3β-[2-O,4-O-ビス(β-D-グルコピラノシル)-6-O-α-L-アラビノピラノシル-β-D-グルコピラノシルオキシ]-21β,22α-ジアセトキシオレアナ-12-エン-15α,16α,28-トリオール
  • (3R,4R,4aR,5S,6R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4-(アセチルオキシ)-5,6-ジヒドロキシ-10-{[(2R,3R,4S,5S,6R)-4-ヒドロキシ-3,5-ビス({[(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})-6-({[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-4a-(ヒドロキシメチル)-2,2,6a,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-3-イル アセタート
  • (3R,4R,4aR,5S,6R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4-(acetyloxy)-5,6-dihydroxy-10-{[(2R,3R,4S,5S,6R)-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4a-(hydroxymethyl)-2,2,6a,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-icosahydropicen-3-yl acetate
Other name (3):
  • 3β-[2-O,4-O-Bis(β-D-glucopyranosyl)-6-O-α-L-arabinopyranosyl-β-D-glucopyranosyloxy]-21β,22α-diacetoxyoleana-12-ene-15α,16α,28-triol
  • Hydrocotyloside VII
  • ヒドロコチロシドVII
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