Chem
J-GLOBAL ID：200907007090454735   Nikkaji number：J1.883.454E

(23S,24S)-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]spirosta-5,25(27)-diene-3β,23,24-triol

(23S,24S)-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]スピロスタ-5,25(27)-ジエン-3β,23,24-トリオール
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： C50H76O23
Molecular formula furigana： C50-H76-O23
Molecular weight： 1045.135
InChI： InChI=1S/C50H76O23/c1-19-14-66-50(41(60)33(19)56)20(2)32-30(73-50)13-27-25-8-7-23-11-24(53)12-31(48(23,6)26(25)9-10-47(27,32)5)69-45-40(38(29(55)16-64-45)70-43-35(58)34(57)28(54)15-63-43)72-44-36(59)39(37(21(3)67-44)68-22(4)52)71-46-42(61)49(62,17-51)18-65-46/h7,20-21,24-46,51,53-62H,1,8-18H2,2-6H3/t20-,21-,24+,25+,26-,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49+,50-/m0/s1
InChI key： GABVROJQHMIKLI-VYPNNIDBSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O[C@@H]6O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]21OCC(=C)[C@H](O)[C@@H]2O
Systematic name  (3)：
  • (23S,24S)-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]スピロスタ-5,25(27)-ジエン-3β,23,24-トリオール
  • (2S,3S,4S,5R,6S)-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}-5-ヒドロキシ-6-{[(2S,3S,4R,5R)-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}-2-[(1'S,2S,2'S,3S,4S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-7',9',13'-トリメチル-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]-18'-エン-3,4,16'-トリオロキシ]オキサン-3-イル]オキシ}-2-メチルオキサン-3-イル アセタート
  • (2S,3S,4S,5R,6S)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-{[(2S,3S,4R,5R)-5-hydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-[(1'S,2S,2'S,3S,4S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-2-methyloxan-3-yl acetate
Other name (1)：
  • (23S,24S)-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]spirosta-5,25(27)-diene-3β,23,24-triol
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