Chem
J-GLOBAL ID:200907033173948994   Nikkaji number:J1.901.593I

[(16β,22R)-21-(Acetoxymethyl)-23β,24β-dihydroxy-16,22:22,26-diepoxy-5β-cholesta-25(27)-ene-1β-yl]2-O-α-L-rhamnopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranoside

[(16β,22R)-21-(アセトキシメチル)-23β,24β-ジヒドロキシ-16,22:22,26-ジエポキシ-5β-コレスタ-25(27)-エン-1β-イル]2-O-α-L-ラムノピラノシル-3-O-β-D-キシロピラノシル-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: C47H74O20
Molecular formula furigana: C47-H74-O20
Molecular weight: 959.089
InChI: InChI=1S/C47H74O20/c1-19-17-61-47(41(58)32(19)51)25(12-14-59-21(3)49)31-28(67-47)15-26-23-10-9-22-7-6-8-30(46(22,5)24(23)11-13-45(26,31)4)64-44-40(66-43-38(57)36(55)33(52)20(2)62-43)39(35(54)29(16-48)63-44)65-42-37(56)34(53)27(50)18-60-42/h20,22-44,48,50-58H,1,6-18H2,2-5H3/t20-,22-,23+,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,44-,45-,46-,47+/m0/s1
InChI key: WCVJKSYUTMFPDA-IRNKCUMCSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3CCC[C@H]4CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(OCC(=C)[C@H](O)[C@@H]8O)[C@@H](CCOC(=O)C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@@]34C)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • [(16β,22R)-21-(アセトキシメチル)-23β,24β-ジヒドロキシ-16,22:22,26-ジエポキシ-5β-コレスタ-25(27)-エン-1β-イル]2-O-α-L-ラムノピラノシル-3-O-β-D-キシロピラノシル-β-D-グルコピラノシド
  • 2-[(1'S,2R,2'S,3S,4S,4'S,7'S,8'R,9'S,12'S,13'S,14'R,18'S)-3,4-ジヒドロキシ-14'-{[(2R,3R,4S,5R,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-9',13'-ジメチル-5-メチリデン-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]-7'-イル]エチル アセタート
  • 2-[(1'S,2R,2'S,3S,4S,4'S,7'S,8'R,9'S,12'S,13'S,14'R,18'S)-3,4-dihydroxy-14'-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-9',13'-dimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-7'-yl]ethyl acetate
Other name (1):
  • [(16β,22R)-21-(Acetoxymethyl)-23β,24β-dihydroxy-16,22:22,26-diepoxy-5β-cholesta-25(27)-ene-1β-yl]2-O-α-L-rhamnopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranoside
Thsaurus map:

Return to Previous Page