Chem
J-GLOBAL ID:200907051557721332   Nikkaji number:J1.484.836C

3β-[4-O-[2-O-[3-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]-3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranosyloxy]-22-methoxy-26-(β-D-glucopyranosyloxy)furostan-2α-ol

3β-[4-O-[2-O-[3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]-3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]-β-D-ガラクトピラノシルオキシ]-22-メトキシ-26-(β-D-グルコピラノシルオキシ)フロスタン-2α-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: C64H108O35
Molecular formula furigana: C64-H108-O35
Molecular weight: 1437.533
InChI: InChI=1S/C64H108O35/c1-22(21-87-56-47(81)43(77)38(72)31(15-65)89-56)8-11-64(86-5)23(2)37-30(99-64)13-27-25-7-6-24-12-29(28(71)14-63(24,4)26(25)9-10-62(27,37)3)88-57-50(84)46(80)52(36(20-70)94-57)95-61-55(54(42(76)35(19-69)93-61)97-59-49(83)45(79)40(74)33(17-67)91-59)98-60-51(85)53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58/h22-61,65-85H,6-21H2,1-5H3/t22?,23-,24?,25+,26-,27-,28+,29+,30-,31+,32+,33+,34+,35+,36+,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,50+,51+,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64?/m0/s1
InChI key: QKQPATPXWFRSQO-UGSYEZFTSA-N
SMILES: COC1(CCC(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CCC5C[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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Systematic name  (3):
  • 3β-[4-O-[2-O-[3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]-3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]-β-D-ガラクトピラノシルオキシ]-22-メトキシ-26-(β-D-グルコピラノシルオキシ)フロスタン-2α-オール
  • (2R,3R,4S,5S,6R)-2-{4-[(1R,2S,4S,7S,8R,9S,12S,13S,15R,16R)-16-{[(2R,3R,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3-{[(2S,3R,4S,5R,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(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}-5-ヒドロキシ-6-(ヒドロキシメチル)-4-{[(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}-3,4-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}-15-ヒドロキシ-6-メトキシ-7,9,13-トリメチル-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン-6-イル]-2-メチルブトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{4-[(1R,2S,4S,7S,8R,9S,12S,13S,15R,16R)-16-{[(2R,3R,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • 3β-[4-O-[2-O-[3-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]-3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranosyloxy]-22-methoxy-26-(β-D-glucopyranosyloxy)furostan-2α-ol
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