Chem
J-GLOBAL ID：200907073670426014   Nikkaji number：J1.355.874D

[(25S)-26-Acetoxy-20,22-didehydro-5β-furostane-3β-yl]2-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-3-O,4-O,6-O-triacetyl-β-D-galactopyranoside

[(25S)-26-アセトキシ-20,22-ジデヒドロ-5β-フロスタン-3β-イル]2-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-3-O,4-O,6-O-トリアセチル-β-D-ガラクトピラノシド
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： C55H80O21
Molecular formula furigana： C55-H80-O21
Molecular weight： 1077.224
InChI： InChI=1S/C55H80O21/c1-26(23-64-28(3)56)13-16-41-27(2)45-42(73-41)22-40-38-15-14-36-21-37(17-19-54(36,11)39(38)18-20-55(40,45)12)72-52-51(49(70-34(9)62)47(68-32(7)60)43(74-52)24-65-29(4)57)76-53-50(71-35(10)63)48(69-33(8)61)46(67-31(6)59)44(75-53)25-66-30(5)58/h26,36-40,42-53H,13-25H2,1-12H3/t26-,36+,37-,38+,39-,40-,42-,43+,44+,45-,46+,47-,48-,49-,50+,51+,52+,53-,54-,55-/m0/s1
InChI key： APROIAFMMPCKEQ-AJNOOKCQSA-N
SMILES： C[C@@H](CCC1=C(C)[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](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)O1)COC(=O)C
Systematic name  (3)：
  • [(25S)-26-アセトキシ-20,22-ジデヒドロ-5β-フロスタン-3β-イル]2-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-3-O,4-O,6-O-トリアセチル-β-D-ガラクトピラノシド
  • (2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-{[(2R,3R,4S,5S,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-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-6-エン-6-イル]-2-メチルブチル アセタート
  • (2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-{[(2R,3R,4S,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutyl acetate
Other name (1)：
  • [(25S)-26-Acetoxy-20,22-didehydro-5β-furostane-3β-yl]2-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-3-O,4-O,6-O-triacetyl-β-D-galactopyranoside
Thsaurus map：
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