Chem
J-GLOBAL ID：200907097680659773   Nikkaji number：J2.623.303H

Chakasaponin V

チャカサポニンV
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： C63H98O27
Molecular formula furigana： C63-H98-O27
Molecular weight： 1287.450
InChI： InChI=1S/C63H98O27/c1-13-25(3)52(79)89-49-50(90-53(80)26(4)14-2)63(24-65)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)47(75)48(63)76)84-57-46(88-55-41(73)39(71)37(69)31(22-64)83-55)43(42(74)44(86-57)51(77)78)85-56-45(36(68)30(66)23-81-56)87-54-40(72)38(70)35(67)27(5)82-54/h13-15,27,29-50,54-57,64-76H,16-24H2,1-12H3,(H,77,78)/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-,54?,55-,56-,57+,60-,61+,62-,63-/m0/s1
InChI key： DEKODVOGMCTSPQ-DQRYDQIOSA-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@H](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@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7OC7OC(C)C(O)C(O)C7O)[C@H]6O[C@@H]6O[C@H](CO)[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-ガラクトピラノシル-3-O-(2-O-α-L-ラムノピラノシル-α-L-アラビノピラノシル)-β-D-グルコピラヌロノシルオキシ]オレアナ-12-エン-15α,16α,21β,22α,28-ペンタオール21,22-ビス[(E)-2-メチル-2-ブテノアート]
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,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({[(2E)-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}-4-{[(2S,3R,4S,5S)-4,5-ジヒドロキシ-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}オキサン-2-イル]オキシ}-3-ヒドロキシ-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}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2E)-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}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (4)：
  • 3β-[2-O-β-D-Galactopyranosyl-3-O-(2-O-α-L-rhamnopyranosyl-α-L-arabinopyranosyl)-β-D-glucopyranuronosyloxy]oleana-12-ene-15α,16α,21β,22α,28-pentaol 21,22-bis[(E)-2-methyl-2-butenoate]
  • カカサポニンV
  • Chakasaponin V
  • チャカサポニンV
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