Chem
J-GLOBAL ID：201007057432425250   Nikkaji number：J2.852.395E

Soyasaponin Ah

ソヤサポニンAh
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： C60H92O27
Molecular formula furigana： C60-H92-O27
Molecular weight： 1245.369
InChI： InChI=1S/C60H92O27/c1-25(62)76-23-33-43(79-26(2)63)46(80-27(3)64)47(81-28(4)65)54(82-33)84-42-32(67)22-78-52(41(42)72)87-49-48(73)55(5,6)20-30-29-12-13-35-57(8)16-15-36(58(9,24-61)34(57)14-17-60(35,11)59(29,10)19-18-56(30,49)7)83-53-45(39(70)38(69)44(85-53)50(74)75)86-51-40(71)37(68)31(66)21-77-51/h12,30-49,51-54,61,66-73H,13-24H2,1-11H3,(H,74,75)/t30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49+,51-,52-,53+,54-,56+,57-,58+,59+,60+/m0/s1
InChI key： UDWZSXHXZXHZJR-AQGUNFRASA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)CO[C@@H](O[C@@H]3[C@H](O)C(C)(C)C[C@H]4C5=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]5(C)CC[C@@]34C)[C@@H]2O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • (4S)-3β-[2-O-[β-D-キシロピラノシル]-β-D-グルクロノピラノシルオキシ]-22β-[3-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-α-L-アラビノピラノシルオキシ]オレアナ-12-エン-21β,23-ジオール
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-{[(2S,3R,4S,5S)-3,5-ジヒドロキシ-4-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-10-ヒドロキシ-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,5R)-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,9S,10R,12aS,14aR,14bR)-9-{[(2S,3R,4S,5S)-3,5-dihydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-10-hydroxy-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,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3)：
  • (4S)-3β-[2-O-[β-D-Xylopyranosyl]-β-D-glucurono pyranosyloxy]-22β-[3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyloxy]oleana-12-ene-21β,23-diol
  • ソヤサポニンAh
  • Soyasaponin Ah
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