Chem
J-GLOBAL ID：201507005552653547   Nikkaji number：J3.370.806H

24-Hydroxyspirosta-5-ene-3β-yl 2-O-(β-L-rhamnopyranosyl)-4-O-(4-O-(β-D-glucopyranosyl)-β-L-rhamnopyranosyl)-β-D-glucopyranoside

24-ヒドロキシスピロスタ-5-エン-3β-イル2-O-(β-L-ラムノピラノシル)-4-O-(4-O-(β-D-グルコピラノシル)-β-L-ラムノピラノシル)-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： C51H82O22
Molecular formula furigana： C51-H82-O22
Molecular weight： 1047.194
InChI： InChI=1S/C51H82O22/c1-19-18-64-51(15-28(19)54)20(2)32-29(73-51)14-27-25-8-7-23-13-24(9-11-49(23,5)26(25)10-12-50(27,32)6)67-48-44(72-45-38(60)35(57)33(55)21(3)65-45)41(63)43(31(17-53)69-48)71-46-40(62)37(59)42(22(4)66-46)70-47-39(61)36(58)34(56)30(16-52)68-47/h7,19-22,24-48,52-63H,8-18H2,1-6H3/t19?,20-,21-,22-,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-,51+/m0/s1
InChI key： ATNCTZNQQMEYIO-NYCUMBATSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@@]21CC(O)C(C)CO2
Systematic name  (3)：
  • 24-ヒドロキシスピロスタ-5-エン-3β-イル2-O-(β-L-ラムノピラノシル)-4-O-(4-O-(β-D-グルコピラノシル)-β-L-ラムノピラノシル)-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-6-{[(2R,3S,4S,5R,6R)-4-ヒドロキシ-2-(ヒドロキシメチル)-6-[(1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-テトラメチル-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-4-オロキシ]-5-{[(2R,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}オキサン-3-イル]オキシ}-2-メチルオキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-en-4-oloxy]-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 24-Hydroxyspirosta-5-ene-3β-yl 2-O-(β-L-rhamnopyranosyl)-4-O-(4-O-(β-D-glucopyranosyl)-β-L-rhamnopyranosyl)-β-D-glucopyranoside
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