Chem
J-GLOBAL ID：200907011425380178   Nikkaji number：J452.092K

(3S)-3β-[[2-O-(2-O-α-L-Rhamnopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy]-22β-[[[(2R)-3,4-dihydro-4-oxo-5-hydroxy-6-methyl-2H-pyran]-2β-yl]oxy]-olean-12-en-24-ol

(3S)-3β-[[2-O-(2-O-α-L-ラムノピラノシル-β-D-ガラクトピラノシル)-β-D-グルコピラノシル]オキシ]-22β-[[[(2R)-3,4-ジヒドロ-4-オキソ-5-ヒドロキシ-6-メチル-2H-ピラン]-2β-イル]オキシ]-オレアナ-12-エン-24-オール
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： C54H86O20
Molecular formula furigana： C54-H86-O20
Molecular weight： 1055.262
InChI： InChI=1S/C54H86O20/c1-24-36(59)28(58)18-35(67-24)71-34-20-49(3,4)19-27-26-10-11-32-51(6)14-13-33(52(7,23-57)31(51)12-15-54(32,9)53(26,8)17-16-50(27,34)5)72-47-44(41(64)38(61)29(21-55)69-47)74-48-45(42(65)39(62)30(22-56)70-48)73-46-43(66)40(63)37(60)25(2)68-46/h10,25,27,29-35,37-48,55-57,59-66H,11-23H2,1-9H3/t25-,27-,29+,30+,31+,32+,33-,34+,35-,37-,38+,39-,40+,41-,42-,43+,44+,45+,46-,47-,48-,50+,51-,52+,53+,54+/m0/s1
InChI key： CBUBWNKQUWVWFO-UUYUBVMPSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O[C@H]6CC(=O)C(=C(C)O6)O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (3S)-3β-[[2-O-(2-O-α-L-ラムノピラノシル-β-D-ガラクトピラノシル)-β-D-グルコピラノシル]オキシ]-22β-[[[(2R)-3,4-ジヒドロ-4-オキソ-5-ヒドロキシ-6-メチル-2H-ピラン]-2β-イル]オキシ]-オレアナ-12-エン-24-オール
  • (2R)-2-{[(4R,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-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}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-9-(ヒドロキシメチル)-2,2,4a,6a,6b,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-4-イル]オキシ}-5-ヒドロキシ-6-メチル-3,4-ジヒドロ-2H-ピラン-4-オン
  • (2R)-2-{[(4R,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl]oxy}-5-hydroxy-6-methyl-3,4-dihydro-2H-pyran-4-one
Other name (1)：
  • (3S)-3β-[[2-O-(2-O-α-L-Rhamnopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy]-22β-[[[(2R)-3,4-dihydro-4-oxo-5-hydroxy-6-methyl-2H-pyran]-2β-yl]oxy]-olean-12-en-24-ol
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