Chem
J-GLOBAL ID：200907024144024636   Nikkaji number：J1.184.331J

3β-[[2-O-[3-O-(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)-α-L-rhamnopyranosyl]-α-L-arabinopyranosyl]oxy]oleana-12-ene-28-oic acid methyl ester

3β-[[2-O-[3-O-(4-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-α-L-ラムノピラノシル]-α-L-アラビノピラノシル]オキシ]オレアナ-12-エン-28-酸メチル
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： C54H88O21
Molecular formula furigana： C54-H88-O21
Molecular weight： 1073.277
InChI： InChI=1S/C54H88O21/c1-24-33(58)42(74-45-39(64)37(62)41(29(22-56)71-45)73-44-38(63)36(61)35(60)28(21-55)70-44)40(65)46(69-24)75-43-34(59)27(57)23-68-47(43)72-32-13-14-51(6)30(50(32,4)5)12-15-53(8)31(51)11-10-25-26-20-49(2,3)16-18-54(26,48(66)67-9)19-17-52(25,53)7/h10,24,26-47,55-65H,11-23H2,1-9H3/t24-,26-,27-,28+,29+,30-,31+,32-,33-,34-,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,51-,52+,53+,54-/m0/s1
InChI key： DFDNXBAKTBKOJE-OQYFAZLGSA-N
SMILES： COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3)：
  • 3β-[[2-O-[3-O-(4-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-α-L-ラムノピラノシル]-α-L-アラビノピラノシル]オキシ]オレアナ-12-エン-28-酸メチル
  • メチル (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(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}-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル]オキシ}-2,2,6a,6b,9,9,12a-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-4a-カルボキシラート
  • methyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (1)：
  • 3β-[[2-O-[3-O-(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)-α-L-rhamnopyranosyl]-α-L-arabinopyranosyl]oxy]oleana-12-ene-28-oic acid methyl ester
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