Chem
J-GLOBAL ID：201307024506121921   Nikkaji number：J3.192.374C

3β-[4-O-[2-O-(β-D-Xylopyranosyl)-β-D-glucopyranosyl]-2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyloxy]-30-oxo-13,16α-dihydroxyoleanane-28-oic acid γ-lactone

3β-[4-O-[2-O-(β-D-キシロピラノシル)-β-D-グルコピラノシル]-2-O-(β-D-グルコピラノシル)-α-L-アラビノピラノシルオキシ]-30-オキソ-13,16α-ジヒドロキシオレアナン-28-酸γ-ラクトン
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： C52H82O23
Molecular formula furigana： C52-H82-O23
Molecular weight： 1075.205
InChI： InChI=1S/C52H82O23/c1-46(2)26-7-11-49(5)27(8-12-52-28-15-47(3,21-55)13-14-51(28,45(66)75-52)29(57)16-50(49,52)6)48(26,4)10-9-30(46)72-43-39(74-42-38(65)35(62)32(59)23(17-53)69-42)34(61)25(20-68-43)71-44-40(36(63)33(60)24(18-54)70-44)73-41-37(64)31(58)22(56)19-67-41/h21-44,53-54,56-65H,7-20H2,1-6H3/t22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,47+,48+,49-,50+,51-,52+/m1/s1
InChI key： GJRKJKRHOJYNMS-OEUFOERPSA-N
SMILES： C[C@@]1(CC[C@@]23[C@@H](C1)[C@]1(CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[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@@]4(C)[C@]1(C)C[C@H]2O)OC3=O)C=O
Systematic name  (3)：
  • 3β-[4-O-[2-O-(β-D-キシロピラノシル)-β-D-グルコピラノシル]-2-O-(β-D-グルコピラノシル)-α-L-アラビノピラノシルオキシ]-30-オキソ-13,16α-ジヒドロキシオレアナン-28-酸γ-ラクトン
  • (1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-{[(2S,3R,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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-イル]オキシ}-4-ヒドロキシ-3-{[(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}オキサン-2-イル]オキシ}-2-ヒドロキシ-4,5,9,9,13,20-ヘキサメチル-23-オキソ-24-オキサヘキサシクロ[15.5.2.01,18.04,17.05,14.08,13]テトラコサン-20-カルバルデヒド
  • (1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-{[(2S,3R,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxy-4,5,9,9,13,20-hexamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
Other name (1)：
  • 3β-[4-O-[2-O-(β-D-Xylopyranosyl)-β-D-glucopyranosyl]-2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyloxy]-30-oxo-13,16α-dihydroxyoleanane-28-oic acid γ-lactone
Thsaurus map：
Thesaurus Map

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