Chem
J-GLOBAL ID:200907050521295420   Nikkaji number:J2.253.521H

[(25R)-5α-Spirostane-3β-yl]4-O-(β-D-galactopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

[(25R)-5α-スピロスタン-3β-イル]4-O-(β-D-ガラクトピラノシル)-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
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: C41H67NO13
Molecular formula furigana: C41-H67-N-O13
Molecular weight: 781.981
InChI: InChI=1S/C41H67NO13/c1-19-8-13-41(50-18-19)20(2)30-27(55-41)15-26-24-7-6-22-14-23(9-11-39(22,4)25(24)10-12-40(26,30)5)51-37-31(42-21(3)45)33(47)36(29(17-44)53-37)54-38-35(49)34(48)32(46)28(16-43)52-38/h19-20,22-38,43-44,46-49H,6-18H2,1-5H3,(H,42,45)/t19-,20+,22+,23+,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-/m1/s1
InChI key: NJCRLMZCOUPNCV-NKTQPPLLSA-N
SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(=O)C)O[C@@]21CC[C@@H](C)CO2
Systematic name  (3):
  • [(25R)-5α-スピロスタン-3β-イル]4-O-(β-D-ガラクトピラノシル)-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
  • N-[(2R,3R,4R,5S,6R)-4-ヒドロキシ-6-(ヒドロキシメチル)-2-[(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]オキシ]-5-{[(2S,3R,4S,5R,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-3-イル]アセトアミド
  • N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]oxy]-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
Other name (1):
  • [(25R)-5α-Spirostane-3β-yl]4-O-(β-D-galactopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
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