Chem
J-GLOBAL ID：201207010713093409   Nikkaji number：J3.102.675J

SanchakasaponinF

サンチャカサポニンF
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： C64H100O28
Molecular formula furigana： C64-H100-O28
Molecular weight： 1317.476
InChI： InChI=1S/C64H100O28/c1-13-25(3)53(81)90-49-50(91-54(82)26(4)14-2)63(24-67)29(21-58(49,6)7)28-15-16-33-60(10)19-18-34(59(8,9)32(60)17-20-61(33,11)62(28,12)46(77)47(63)78)87-57-51(92-56-42(75)39(72)36(69)31(23-66)86-56)64(83,45(76)44(89-57)52(79)80)48-43(40(73)37(70)30(22-65)85-48)88-55-41(74)38(71)35(68)27(5)84-55/h13-15,27,29-51,55-57,65-78,83H,16-24H2,1-12H3,(H,79,80)/b25-13-,26-14-/t27-,29-,30+,31+,32-,33+,34-,35-,36+,37-,38+,39-,40-,41+,42+,43+,44-,45+,46?,47+,48+,49+,50-,51-,55-,56-,57+,60-,61+,62-,63-,64+/m0/s1
InChI key： FZQMZBFRRRZMOO-NOOVUNILSA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1[C@H](OC(=O)/C(=C\C)/C)[C@]2(CO)[C@H](O)C(O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@](O)([C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
Systematic name  (3)：
  • 3β-[2-O-(β-D-グルコピラノシル)-3-[2-O-(α-L-ラムノピラノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラヌロノシルオキシ]-21α,22α-ビス(アンゲロイルオキシ)オレアナン-12-エン-15,16α,28-トリオール
  • (2R,2'S,3R,3'R,4S,4'R,5R,5'R,6R,6'R)-6'-{[(3S,4aR,6aR,6bS,8S,8aR,9R,10S,12aS,14aR,14bR)-7,8-ジヒドロキシ-8a-(ヒドロキシメチル)-4,4,6a,6b,11,11,14b-ヘプタメチル-9,10-ビス({[(2Z)-2-メチルブタ-2-エノイル]オキシ})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3',4,4',5-テトラヒドロキシ-6-(ヒドロキシメチル)-5'-{[(2S,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}-3-{[(2S,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}-[2,4'-ビオキサン]-2'-カルボン酸
  • (2R,2'S,3R,3'R,4S,4'R,5R,5'R,6R,6'R)-6'-{[(3S,4aR,6aR,6bS,8S,8aR,9R,10S,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3',4,4',5-tetrahydroxy-6-(hydroxymethyl)-5'-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[2,4'-bioxane]-2'-carboxylic acid
Other name (3)：
  • 3β-[2-O-(β-D-Glucopyranosyl)-3-[2-O-(α-L-rhamnopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranuronosyloxy]-21α,22α-bis(angeloyloxy)oleanane-12-ene-15,16α,28-triol
  • サンチャカサポニンF
  • SanchakasaponinF
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