Chem
J-GLOBAL ID：200907019733982201   Nikkaji number：J1.883.455C

(23S,24S)-21-Acetoxy-1β-[[2-O-(4-O-acetyl-3-O-D-apio-β-D-furanosyl-α-L-rhamnopyranosyl)-3-O-β-D-xylopyranosyl-β-D-arabinopyranosyl]oxy]-24-(6-deoxy-β-D-glucopyranosyloxy)spirosta-5,25(27)-diene-3β,23-diol

(23S,24S)-21-アセトキシ-1β-[[2-O-(4-O-アセチル-3-O-D-アピオ-β-D-フラノシル-α-L-ラムノピラノシル)-3-O-β-D-キシロピラノシル-β-D-アラビノピラノシル]オキシ]-24-(6-デオキシ-β-D-グルコピラノシルオキシ)スピロスタ-5,25(27)-ジエン-3β,23-ジオール
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： C58H88O29
Molecular formula furigana： C58-H88-O29
Molecular weight： 1249.313
InChI： InChI=1S/C58H88O29/c1-21-15-78-58(48(71)43(21)83-51-41(69)39(67)37(65)22(2)79-51)31(16-74-24(4)60)36-34(87-58)14-30-28-9-8-26-12-27(62)13-35(56(26,7)29(28)10-11-55(30,36)6)82-53-47(45(33(64)18-76-53)84-50-40(68)38(66)32(63)17-75-50)86-52-42(70)46(44(23(3)80-52)81-25(5)61)85-54-49(72)57(73,19-59)20-77-54/h8,22-23,27-54,59,62-73H,1,9-20H2,2-7H3/t22-,23+,27-,28-,29+,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,58+/m1/s1
InChI key： GWKXWFUKJVEVIT-UAXORKJHSA-N
SMILES： C[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@]3(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)C[C@@H](O[C@@H]8OC[C@@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H]8O[C@@H]8O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]9OC[C@](O)(CO)[C@H]9O)[C@H]8O)[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@@H]3COC(=O)C)OCC2=C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (23S,24S)-21-アセトキシ-1β-[[2-O-(4-O-アセチル-3-O-D-アピオ-β-D-フラノシル-α-L-ラムノピラノシル)-3-O-β-D-キシロピラノシル-β-D-アラビノピラノシル]オキシ]-24-(6-デオキシ-β-D-グルコピラノシルオキシ)スピロスタ-5,25(27)-ジエン-3β,23-ジオール
  • [(1'S,2S,2'S,3S,4S,4'S,7'R,8'R,9'S,12'S,13'R,14'R,16'R)-14'-{[(2S,3S,4R,5R)-3-{[(2S,3R,4S,5S,6S)-5-(アセチルオキシ)-4-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-5-ヒドロキシ-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}-3,16'-ジヒドロキシ-9',13'-ジメチル-5-メチリデン-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-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'-エン-7'-イル]メチル アセタート
  • [(1'S,2S,2'S,3S,4S,4'S,7'R,8'R,9'S,12'S,13'R,14'R,16'R)-14'-{[(2S,3S,4R,5R)-3-{[(2S,3R,4S,5S,6S)-5-(acetyloxy)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,16'-dihydroxy-9',13'-dimethyl-5-methylidene-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-en-7'-yl]methyl acetate
Other name (1)：
  • (23S,24S)-21-Acetoxy-1β-[[2-O-(4-O-acetyl-3-O-D-apio-β-D-furanosyl-α-L-rhamnopyranosyl)-3-O-β-D-xylopyranosyl-β-D-arabinopyranosyl]oxy]-24-(6-deoxy-β-D-glucopyranosyloxy)spirosta-5,25(27)-diene-3β,23-diol
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