Chem
J-GLOBAL ID:200907039232765791   Nikkaji number:J865.933H

[(25S)-22-Methoxy-5α-furostane-3α,26-diyl]bis(β-D-glucopyranoside)

[(25S)-22-メトキシ-5α-フロスタン-3α,26-ジイル]ビス(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: C40H68O14
Molecular formula furigana: C40-H68-O14
Molecular weight: 772.970
InChI: InChI=1S/C40H68O14/c1-19(18-50-36-34(47)32(45)30(43)27(16-41)52-36)8-13-40(49-5)20(2)29-26(54-40)15-25-23-7-6-21-14-22(9-11-38(21,3)24(23)10-12-39(25,29)4)51-37-35(48)33(46)31(44)28(17-42)53-37/h19-37,41-48H,6-18H2,1-5H3/t19-,20-,21-,22+,23+,24-,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40?/m0/s1
InChI key: JOLRNAYMVQBIMR-KRJIGCDOSA-N
SMILES: COC1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • [(25S)-22-メトキシ-5α-フロスタン-3α,26-ジイル]ビス(β-D-グルコピラノシド)
  • (2R,3S,4S,5R,6R)-2-(ヒドロキシメチル)-6-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16R,18S)-6-メトキシ-7,9,13-トリメチル-16-{[(2R,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}-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン-6-イル]-2-メチルブトキシ]オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16R,18S)-6-methoxy-7,9,13-trimethyl-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
Other name (1):
  • [(25S)-22-Methoxy-5α-furostane-3α,26-diyl]bis(β-D-glucopyranoside)
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