Chem
J-GLOBAL ID:200907050528844534   Nikkaji number:J2.664.409G

(20R,24S)-3β-[2-O-(α-L-Arabinopyranosyl)-β-D-xylopyranosyl]-6α,16β-dihydroxy-20,24-epoxy-25-(β-D-glucopyranosyloxy)cycloartane

(20R,24S)-3β-[2-O-(α-L-アラビノピラノシル)-β-D-キシロピラノシル]-6α,16β-ジヒドロキシ-20,24-エポキシ-25-(β-D-グルコピラノシルオキシ)シクロアルタン
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: C46H76O17
Molecular formula furigana: C46-H76-O17
Molecular weight: 901.097
InChI: InChI=1S/C46H76O17/c1-40(2)20(34-35(29(53)24(51)17-58-34)61-38-32(56)28(52)23(50)18-59-38)8-11-46-19-45(46)13-12-42(5)37(22(49)15-43(42,6)26(45)14-21(48)36(40)46)44(7)10-9-27(62-44)41(3,4)63-39-33(57)31(55)30(54)25(16-47)60-39/h20-39,47-57H,8-19H2,1-7H3/t20-,21+,22+,23+,24-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,38+,39+,42-,43+,44-,45+,46-/m1/s1
InChI key: OXRKZKGCBMLYHJ-JZAXQUHCSA-N
SMILES: CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H]([C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C4(C)C
Systematic name  (3):
  • (20R,24S)-3β-[2-O-(α-L-アラビノピラノシル)-β-D-キシロピラノシル]-6α,16β-ジヒドロキシ-20,24-エポキシ-25-(β-D-グルコピラノシルオキシ)シクロアルタン
  • (2S,3R,4S,5S,6R)-2-({2-[(2S,5R)-5-[(1S,3R,6S,8S,9S,11S,12S,14S,15R,16R)-6-[(2S,3R,4S,5R)-4,5-ジヒドロキシ-3-{[(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-イル]-9,14-ジヒドロキシ-7,7,12,16-テトラメチルペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-15-イル]-5-メチルオキソラン-2-イル]プロパン-2-イル}オキシ)-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-({2-[(2S,5R)-5-[(1S,3R,6S,8S,9S,11S,12S,14S,15R,16R)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]-9,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-15-yl]-5-methyloxolan-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • (20R,24S)-3β-[2-O-(α-L-Arabinopyranosyl)-β-D-xylopyranosyl]-6α,16β-dihydroxy-20,24-epoxy-25-(β-D-glucopyranosyloxy)cycloartane
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