Chem
J-GLOBAL ID：200907032995233770   Nikkaji number：J458.734K

3β-[[2-O-[2-O-(α-L-Rhamnopyranosyl)-β-D-xylopyranosyl]-6-O-methyl-β-D-glucurono pyranosyl]oxy]-22β-[(β-D-glucopyranosyl)oxy]olean-12-en-24-ol

3β-[[2-O-[2-O-(α-L-ラムノピラノシル)-β-D-キシロピラノシル]-6-O-メチル-β-D-グルクロノピラノシル]オキシ]-22β-[(β-D-グルコピラノシル)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： C54H88O22
Molecular formula furigana： C54-H88-O22
Molecular weight： 1089.276
InChI： InChI=1S/C54H88O22/c1-23-32(58)35(61)39(65)45(70-23)75-42-33(59)26(57)21-69-47(42)76-43-38(64)37(63)41(44(67)68-9)74-48(43)72-30-13-14-51(5)28(52(30,6)22-56)12-15-54(8)29(51)11-10-24-25-18-49(2,3)19-31(50(25,4)16-17-53(24,54)7)73-46-40(66)36(62)34(60)27(20-55)71-46/h10,23,25-43,45-48,55-66H,11-22H2,1-9H3/t23-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,45-,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1
InChI key： CVEAWKAMZKJNOY-ZITARFHLSA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3β-[[2-O-[2-O-(α-L-ラムノピラノシル)-β-D-キシロピラノシル]-6-O-メチル-β-D-グルクロノピラノシル]オキシ]-22β-[(β-D-グルコピラノシル)オキシ]オレアナ-12-エン-24-オール
  • メチル (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(ヒドロキシメチル)-4,6a,6b,8a,11,11,14b-ヘプタメチル-9-{[(2R,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}-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}-5-{[(2S,3R,4S,5R)-4,5-ジヒドロキシ-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}-3,4-ジヒドロキシオキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate
Other name (1)：
  • 3β-[[2-O-[2-O-(α-L-Rhamnopyranosyl)-β-D-xylopyranosyl]-6-O-methyl-β-D-glucurono pyranosyl]oxy]-22β-[(β-D-glucopyranosyl)oxy]olean-12-en-24-ol
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