Chem
J-GLOBAL ID:200907050344264551   Nikkaji number:J634.496H

(22R,25S,26R)-3β-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-26-[(6-deoxy-α-L-mannopyranosyl)oxy]-22,26-epoxy-5α-cholestan-6-one

(22R,25S,26R)-3β-[[2-O-(6-デオキシ-α-L-マンノピラノシル)-β-D-グルコピラノシル]オキシ]-26-[(6-デオキシ-α-L-マンノピラノシル)オキシ]-22,26-エポキシ-5α-コレスタン-6-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: C45H74O17
Molecular formula furigana: C45-H74-O17
Molecular weight: 887.070
InChI: InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+/m0/s1
InChI key: QZOALWMSYRBZSA-QZLZDTQYSA-N
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC(=O)[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](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O1
Systematic name  (3):
  • (22R,25S,26R)-3β-[[2-O-(6-デオキシ-α-L-マンノピラノシル)-β-D-グルコピラノシル]オキシ]-26-[(6-デオキシ-α-L-マンノピラノシル)オキシ]-22,26-エポキシ-5α-コレスタン-6-オン
  • (1R,3aS,3bS,5aS,7S,9aR,9bS,11aS)-7-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-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}-9a,11a-ジメチル-1-[(1S)-1-[(2R,5S,6R)-5-メチル-6-{[(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]エチル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5-オン
  • (1R,3aS,3bS,5aS,7S,9aR,9bS,11aS)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1-[(1S)-1-[(2R,5S,6R)-5-methyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]ethyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
Other name (1):
  • (22R,25S,26R)-3β-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-26-[(6-deoxy-α-L-mannopyranosyl)oxy]-22,26-epoxy-5α-cholestan-6-one
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