Chem
J-GLOBAL ID：200907077146346408   Nikkaji number：J956.819K

Quinquenoside II

キンクエノシドII
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： C62H104O24
Molecular formula furigana： C62-H104-O24
Molecular weight： 1233.490
InChI： InChI=1S/C62H104O24/c1-10-11-12-13-14-17-40(66)78-28-35-44(69)47(72)51(76)55(82-35)85-53-49(74)43(68)34(27-64)81-57(53)84-39-20-22-59(6)37(58(39,4)5)19-24-60(7)38(59)25-32(65)41-31(18-23-61(41,60)8)62(9,21-15-16-30(2)3)86-56-52(77)48(73)45(70)36(83-56)29-79-54-50(75)46(71)42(67)33(26-63)80-54/h14,16-17,31-39,41-57,63-65,67-77H,10-13,15,18-29H2,1-9H3/b17-14+/t31-,32+,33+,34+,35+,36+,37-,38+,39-,41-,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53+,54+,55-,56-,57-,59-,60+,61+,62-/m0/s1
InChI key： KRCPFRPUBYFDPP-OKBYIFLJSA-N
SMILES： CCCCC/C=C/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@H]3[C@H](CC[C@@]43C)[C@](C)(CCC=C(C)C)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [20-[(6-O-β-D-グルコピラノシル-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-[(E)-2-オクテノイル]-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-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)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 (2E)-オクタ-2-エノアート
  • [(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-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 (2E)-oct-2-enoate
Other name (3)：
  • [20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-12β-hydroxy-5α-dammar-24-en-3β-yl]2-O-[6-O-[(E)-2-octenoyl]-β-D-glucopyranosyl]-β-D-glucopyranoside
  • キンクエノシドII
  • Quinquenoside II
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