Chem
J-GLOBAL ID：200907094404795206   Nikkaji number：J38.869F

Ginsenoside Rs1

ギンセノシドRs1
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： C55H92O23
Molecular formula furigana： C55-H92-O23
Molecular weight： 1121.318
InChI： InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)39(63)31(75-49)23-72-47-43(67)36(60)28(59)21-71-47)26-12-17-54(8)35(26)27(58)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)37(61)29(20-56)73-50)77-48-44(68)40(64)38(62)30(74-48)22-70-25(3)57/h11,26-50,56,58-69H,10,12-23H2,1-9H3/t26-,27+,28-,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,50-,52-,53+,54+,55-/m0/s1
InChI key： HAJTYGKLQDXTPO-VNWUQRQDSA-N
SMILES： CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C)C
Systematic name  (3)：
  • 20-[(6-O-α-L-アラビノピラノシル-β-D-グルコピラノシル)オキシ]-12β-ヒドロキシ-5α-ダンマラ-24-エン-3β-イル2-O-(6-O-アセチル-β-D-グルコピラノシル)-β-D-グルコピラノシド
  • [(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-ヒドロキシ-3a,3b,6,6,9a-ペンタメチル-1-[(2S)-6-メチル-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}ヘプタ-5-エン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Other name (3)：
  • ギンセノシドRs1
  • Ginsenoside Rs1
  • 20-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-12β-hydroxy-5α-dammar-24-en-3β-yl 2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside
CAS registry number： 87733-67-3
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