Chem
J-GLOBAL ID：200907099172832950   Nikkaji number：J1.355.880I

[(25S)-26-Acetoxy-20,22-didehydro-5β-furostane-3β-yl]2-O-(β-D-glucopyranosyl)-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-(β-D-グルコピラノシル)-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： C41H66O14
Molecular formula furigana： C41-H66-O14
Molecular weight： 782.965
InChI： InChI=1S/C41H66O14/c1-19(18-50-21(3)44)6-9-27-20(2)31-28(52-27)15-26-24-8-7-22-14-23(10-12-40(22,4)25(24)11-13-41(26,31)5)51-39-37(35(48)33(46)30(17-43)54-39)55-38-36(49)34(47)32(45)29(16-42)53-38/h19,22-26,28-39,42-43,45-49H,6-18H2,1-5H3/t19-,22+,23-,24+,25-,26-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40-,41-/m0/s1
InChI key： GRVMQXXZRJUUEB-UREHUALUSA-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](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)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-(β-D-グルコピラノシル)-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,5R,6R)-4,5-ジヒドロキシ-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}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,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)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-(β-D-glucopyranosyl)-β-D-galactopyranoside
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