Chem
J-GLOBAL ID：200907098309228057   Nikkaji number：J1.883.452I

(23S)-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-diol

(23S)-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-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： C50H76O22
Molecular formula furigana： C50-H76-O22
Molecular weight： 1029.136
InChI： InChI=1S/C50H76O22/c1-20-11-32(56)50(65-15-20)21(2)34-31(72-50)14-28-26-8-7-24-12-25(53)13-33(48(24,6)27(26)9-10-47(28,34)5)68-45-41(39(30(55)17-63-45)69-43-36(58)35(57)29(54)16-62-43)71-44-37(59)40(38(22(3)66-44)67-23(4)52)70-46-42(60)49(61,18-51)19-64-46/h7,21-22,25-46,51,53-61H,1,8-19H2,2-6H3/t21-,22-,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： LQVHUXJTFQZCFZ-VMNYOHNJSA-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[C@@H]2O
Systematic name  (3)：
  • (23S)-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-ジオール
  • (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,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-3,16'-ジオロキシ]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,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-3,16'-dioloxy]oxan-3-yl]oxy}-2-methyloxan-3-yl acetate
Other name (1)：
  • (23S)-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-diol
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