Chem
J-GLOBAL ID：200907011048389360   Nikkaji number：J532.639G

Soyasaponin γa

ソヤサポニンγa
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： C47H72O16
Molecular formula furigana： C47-H72-O16
Molecular weight： 893.077
InChI： InChI=1S/C47H72O16/c1-22-32(51)25(49)17-31(59-22)60-30-19-42(2,3)18-24-23-9-10-28-44(5)13-12-29(45(6,21-48)27(44)11-14-47(28,8)46(23,7)16-15-43(24,30)4)61-41-38(35(54)34(53)37(62-41)39(56)57)63-40-36(55)33(52)26(50)20-58-40/h9,24,26-31,33-38,40-41,48,50-55H,10-21H2,1-8H3,(H,56,57)/t24-,26-,27+,28+,29-,30+,31?,33-,34-,35-,36+,37-,38+,40-,41+,43+,44-,45+,46+,47+/m0/s1
InChI key： BJSYIEDSMIGNCZ-VRTJPDHZSA-N
SMILES： CC1=C(O)C(=O)CC(O[C@@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)C(=O)O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]23C)O1
Systematic name  (5)：
  • (4S)-22β-[(3,4-ジヒドロ-5-ヒドロキシ-6-メチル-4-オキソ-2H-ピラン)-2-イルオキシ]-3β-[2-O-(α-L-アラビノピラノシル)-β-D-グルコピラヌロノシルオキシ]-5α-オレアナ-12-エン-24-オール
  • (4S)-3β-[2-O-(α-L-アラビノピラノシル)-β-D-グルクロノピラノシルオキシ]-22β-(2,3-ジヒドロ-4-オキソ-5-ヒドロキシ-6-メチル-4H-ピラン-2-イルオキシ)オレアナ-12-エン-24-オール
  • 3β-[2-O-[α-L-アラビノピラノシル]-β-D-グルコピラヌロノシルオキシ]-22β-(4-オキソ-6-メチル-5-ヒドロキシ-3,4-ジヒドロ-2H-ピラン-2-イルオキシ)-24-ヒドロキシオレアナ-12-エン
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[(5-ヒドロキシ-6-メチル-4-オキソ-3,4-ジヒドロ-2H-ピラン-2-イル)オキシ]-4-(ヒドロキシメチル)-4,6a,6b,8a,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (7)：
  • ソヤサポニンγa
  • Soyasaponin γa
  • (4S)-22β-[(3,4-Dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran)-2-yloxy]-3β-[2-O-(α-L-arabinopyranosyl)-β-D-glucopyranuronosyloxy]-5α-olean-12-en-24-ol
  • (4S)-3β-[2-O-(α-L-Arabinopyranosyl)-β-D-glucurono pyranosyloxy]-22β-(2,3-dihydro-4-oxo-5-hydroxy-6-methyl-4H-pyran-2-yloxy)oleana-12-ene-24-ol
  • 3β-[2-O-[α-L-Arabinopyranosyl]-β-D-glucopyranuronosyloxy]-22β-(4-oxo-6-methyl-5-hydroxy-3,4-dihydro-2H-pyran-2-yloxy)-24-hydroxyoleana-12-ene
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