Chem
J-GLOBAL ID：200907033686362251   Nikkaji number：J264.622F

(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3β,26-diol 3-O-β-D-glucoside

(20S,22S,25S)-22,25-エポキシフロスタ-5-エン-3β,26-ジオール3-O-β-D-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： C33H52O9
Molecular formula furigana： C33-H52-O9
Molecular weight： 592.770
InChI： InChI=1S/C33H52O9/c1-17-25-23(41-33(17)12-11-30(2,16-35)42-33)14-22-20-6-5-18-13-19(7-9-31(18,3)21(20)8-10-32(22,25)4)39-29-28(38)27(37)26(36)24(15-34)40-29/h5,17,19-29,34-38H,6-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-/m0/s1
InChI key： QJEQHVALLZCTGC-HPNIRRCESA-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](O)[C@H]2O)O[C@@]21CC[C@@](C)(CO)O2
Systematic name  (4)：
  • (20S,22S,25S)-22,25-エポキシ-3β-β-D-グルコピラノシルオキシフロスタ-5-エン-26-オール
  • [(20S,22S,25S)-26-ヒドロキシ-22,25-エポキシフロスタ-5-エン-3β-イル]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-[(1'S,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5-(ヒドロキシメチル)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキソラン-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-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1'S,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5-(hydroxymethyl)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]oxane-3,4,5-triol
Other name (4)：
  • (20S,22S,25S)-22,25-Epoxy-3β-β-D-glucopyranosyloxyfurost-5-en-26-ol
  • [(20S,22S,25S)-26-Hydroxy-22,25-epoxyfurosta-5-ene-3β-yl]β-D-glucopyranoside
  • (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3β,26-diol 3-O-β-D-glucoside
  • (20S,22S,25S)-22,25-エポキシフロスタ-5-エン-3β,26-ジオール3-O-β-D-グルコシド
KEGG COMPOUND： C04859
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