Chem
J-GLOBAL ID：201007000872164074   Nikkaji number：J2.890.347B

Platycodin L

プラチコジンL
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： C59H92O30
Molecular formula furigana： C59-H92-O30
Molecular weight： 1281.355
InChI： InChI=1S/C59H92O30/c1-23-39(84-47-37(72)40(29(66)18-79-47)85-51-44(74)58(78,21-62)22-81-51)41(83-24(2)63)38(73)49(82-23)87-43-33(68)28(65)17-80-50(43)89-52(77)59-13-12-53(3,4)14-26(59)25-8-9-30-54(5)15-27(64)45(88-48-36(71)34(69)35(70)42(86-48)46(75)76)57(19-60,20-61)31(54)10-11-55(30,6)56(25,7)16-32(59)67/h8,23,26-45,47-51,60-62,64-74,78H,9-22H2,1-7H3,(H,75,76)/t23-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44-,45-,47-,48-,49-,50-,51-,54+,55+,56+,58+,59+/m0/s1
InChI key： FVPZMQQUESZOOY-WQYHJOABSA-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]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(CO)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@H](OC(=O)C)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O
Systematic name  (3)：
  • 3β-(β-D-グルコピラヌロノシルオキシ)-2β,16α,23,24-テトラヒドロキシオレアナ-12-エン-28-酸28-[2-O-[3-O-アセチル-4-O-[3-O-(D-アピオ-β-D-フラノシル)-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,3S,4S,5R,6R)-6-{[(2S,3R,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6S)-4-(アセチルオキシ)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-3,5-ジヒドロキシオキサン-2-イル]オキシ}-3-ヒドロキシ-6-メチルオキサン-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-4,4-ビス(ヒドロキシメチル)-6a,6b,11,11,14b-ペンタメチル-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}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(2S,3R,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6S)-4-(acetyloxy)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}carbonyl)-2,8-dihydroxy-4,4-bis(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (3)：
  • 3β-(β-D-Glucopyranuronosyloxy)-2β,16α,23,24-tetrahydroxyoleana-12-ene-28-oic acid 28-[2-O-[3-O-acetyl-4-O-[3-O-(D-apio-β-D-furanosyl)-β-D-xylopyranosyl]-6-deoxy-α-L-mannopyranosyl]-α-L-arabinopyranosyl] ester
  • プラチコジンL
  • Platycodin L
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