Chem
J-GLOBAL ID：201207066244901995   Nikkaji number：J3.102.677F

Sanchakasaponin H

サンチャカサポニンH
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： C59H94O25
Molecular formula furigana： C59-H94-O25
Molecular weight： 1203.376
InChI： InChI=1S/C59H94O25/c1-11-24(2)49(75)80-34-20-53(4,5)18-27-26-12-13-31-55(8)16-15-33(54(6,7)30(55)14-17-56(31,9)57(26,10)19-32(63)58(27,34)23-62)81-52-47(84-51-42(71)39(68)36(65)29(22-61)79-51)59(76,45(72)44(83-52)48(73)74)46-43(40(69)37(66)28(21-60)78-46)82-50-41(70)38(67)35(64)25(3)77-50/h11-12,25,27-47,50-52,60-72,76H,13-23H2,1-10H3,(H,73,74)/b24-11-/t25-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,50-,51-,52+,55-,56+,57+,58-,59+/m0/s1
InChI key： NVJQSVRMSZRLJW-XTQMNHHPSA-N
SMILES： C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=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@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO
Systematic name  (3)：
  • 3β-[2-O-(β-D-ガラクトピラノシル)-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]-22α-(アンゲロイルオキシ)オレアナン-12-エン-16α,28-ジオール
  • (2R,2'S,3R,3'R,4S,4'R,5R,5'R,6R,6'R)-6'-{[(3S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-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-{[(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,5R,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,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(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,5R,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-Galactopyranosyl)-3-[2-O-(α-L-rhamnopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranuronosyloxy]-22α-(angeloyloxy)oleanane-12-ene-16α,28-diol
  • サンチャカサポニンH
  • Sanchakasaponin H
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