Chem
J-GLOBAL ID：200907014523641485   Nikkaji number：J1.883.456A

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

(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]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： C52H78O25
Molecular formula furigana： C52-H78-O25
Molecular weight： 1103.171
InChI： InChI=1S/C52H78O25/c1-20-14-70-52(43(63)35(20)59)29(15-66-22(3)54)34-32(77-52)13-28-26-8-7-24-11-25(56)12-33(50(24,6)27(26)9-10-49(28,34)5)73-47-42(40(31(58)17-68-47)74-45-37(61)36(60)30(57)16-67-45)76-46-38(62)41(39(21(2)71-46)72-23(4)55)75-48-44(64)51(65,18-53)19-69-48/h7,21,25-48,53,56-65H,1,8-19H2,2-6H3/t21-,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-,51+,52-/m0/s1
InChI key： CBIQGHYKUKDTIF-UBXPZZNVSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3C[C@H](O)CC4=CC[C@H]5[C@@H]6C[C@@H]7O[C@@]8(OCC(=C)[C@H](O)[C@@H]8O)[C@@H](COC(=O)C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@@]34C)OC[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]2OC[C@](O)(CO)[C@H]2O)[C@H]1OC(=O)C
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]スピロスタ-5,25(27)-ジエン-3β,23,24-トリオール
  • [(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}-3,4,16'-トリヒドロキシ-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]-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}-3,4,16'-trihydroxy-9',13'-dimethyl-5-methylidene-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]spirosta-5,25(27)-diene-3β,23,24-triol
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