Chem
J-GLOBAL ID：200907048187292690   Nikkaji number：J1.177.226I

Diosgenin diglucoside

ジオスゲニンジグルコシド
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： C39H62O13
Molecular formula furigana： C39-H62-O13
Molecular weight： 738.912
InChI： InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38+,39-/m1/s1
InChI key： OBVNUYXMOLOYPW-GLVHLHEVSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[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]2O)O[C@@]21CC[C@@H](C)CO2
Systematic name  (4)：
  • [(25R)-スピロスタン-5-エン-3β-イル]4-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (25R)-3β-[4-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]スピロスタ-5-エン
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'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]-18'-エネオキシ]オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (4)：
  • [(25R)-Spirostane-5-ene-3β-yl]4-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • (25R)-3β-[4-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyloxy]spirosta-5-ene
  • ジオスゲニンジグルコシド
  • Diosgenin diglucoside
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