Chem
J-GLOBAL ID：200907050295914332   Nikkaji number：J1.542.893G

Ginsenoside Rk3

ギンセノシドRk3
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： C36H60O8
Molecular formula furigana： C36-H60-O8
Molecular weight： 620.868
InChI： InChI=1S/C36H60O8/c1-20(2)10-9-11-21(3)22-12-14-35(8)27(22)23(38)18-26-33(6)16-17-36(42,32(4,5)25(33)13-15-34(26,35)7)44-31-30(41)29(40)28(39)24(19-37)43-31/h10,22-31,37-42H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,33+,34-,35-,36-/m1/s1
InChI key： JINYXLIBJXEBPY-JKKHJTPESA-N
SMILES： CC(=CCCC(=C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@](O)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C)C
Systematic name  (4)：
  • 3-(β-D-グルコピラノシルオキシ)ダンマラ-20,24-ジエン-3β,12β-ジオール
  • [3β,12β-ジヒドロキシ-5α-ダンマラ-20,24-ジエン-3α-イル]β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7R,9aR,9bR,11R,11aR)-7,11-ジヒドロキシ-3a,3b,6,6,9a-ペンタメチル-1-(6-メチルヘプタ-1,5-ジエン-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}-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-{[(1S,3aR,3bR,5aR,7R,9aR,9bR,11R,11aR)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,5-dien-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (4)：
  • 3-(β-D-Glucopyranosyloxy)dammara-20,24-diene-3β,12β-diol
  • [3β,12β-Dihydroxy-5α-dammara-20,24-diene-3α-yl]β-D-glucopyranoside
  • ギンセノシドRk3
  • Ginsenoside Rk3
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