Chem
J-GLOBAL ID：201007013972294603   Nikkaji number：J2.890.344H

Platyconic acid E

プラチコン酸E
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： C58H92O30
Molecular formula furigana： C58-H92-O30
Molecular weight： 1269.344
InChI： InChI=1S/C58H92O30/c1-21-43(85-47-39(72)32(65)25(62)17-79-47)38(71)42(75)48(82-21)86-44-33(66)26(63)18-80-50(44)88-52(78)57-12-11-53(2,3)13-23(57)22-7-8-29-54(4)14-24(61)45(58(20-60,51(76)77)30(54)9-10-55(29,5)56(22,6)15-31(57)64)87-49-41(74)37(70)35(68)28(84-49)19-81-46-40(73)36(69)34(67)27(16-59)83-46/h7,21,23-50,59-75H,8-20H2,1-6H3,(H,76,77)/t21-,23-,24-,25+,26-,27+,28+,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+,58+/m0/s1
InChI key： KTOYBLQAWFFEHE-ULXJCTBPSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](CO)([C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-(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)-2β,16α,23-トリヒドロキシオレアナ-12-エン-24,28-二酸28-[2-O-(4-O-β-D-キシロピラノシル-6-デオキシ-α-L-マンノピラノシル)-α-L-アラビノピラノシル]
  • (2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-6-メチル-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル]オキシ}カルボニル)-2,8-ジヒドロキシ-4-(ヒドロキシメチル)-6a,6b,11,11,14b-ペンタメチル-3-{[(2R,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}-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-4-カルボン酸
  • (2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}carbonyl)-2,8-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-{[(2R,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}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
Other name (3)：
  • 3β-(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-2β,16α,23-trihydroxyoleana-12-ene-24,28-dioic acid 28-[2-O-(4-O-β-D-xylopyranosyl-6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl] ester
  • プラチコン酸E
  • Platyconic acid E
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