Chem
J-GLOBAL ID：200907081748612360   Nikkaji number：J2.164.533H

3β-[4-O-(2-O-β-D-Glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranosyloxy]-5α-pregna-16-ene-20-one

3β-[4-O-(2-O-β-D-グルコピラノシル-3-O-β-D-キシロピラノシル-β-D-グルコピラノシル)-β-D-ガラクトピラノシルオキシ]-5α-プレグナ-16-エン-20-オン
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： C44H70O21
Molecular formula furigana： C44-H70-O21
Molecular weight： 935.023
InChI： InChI=1S/C44H70O21/c1-17(48)21-6-7-22-20-5-4-18-12-19(8-10-43(18,2)23(20)9-11-44(21,22)3)59-40-35(57)32(54)36(27(15-47)62-40)63-42-38(65-41-34(56)31(53)29(51)25(13-45)60-41)37(30(52)26(14-46)61-42)64-39-33(55)28(50)24(49)16-58-39/h6,18-20,22-42,45-47,49-57H,4-5,7-16H2,1-3H3/t18-,19-,20-,22-,23-,24+,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36-,37-,38+,39-,40+,41-,42-,43-,44+/m0/s1
InChI key： SFXXKNRRGZAKBZ-OASMDILCSA-N
SMILES： CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[4-O-(2-O-β-D-グルコピラノシル-3-O-β-D-キシロピラノシル-β-D-グルコピラノシル)-β-D-ガラクトピラノシルオキシ]-5α-プレグナ-16-エン-20-オン
  • 1-[(3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-{[(2R,3R,4R,5R,6R)-3,4-ジヒドロキシ-5-{[(2S,3R,4S,5R,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-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}-4-{[(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}-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-9a,11a-ジメチル-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]エタン-1-オン
  • 1-[(3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (1)：
  • 3β-[4-O-(2-O-β-D-Glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranosyloxy]-5α-pregna-16-ene-20-one
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