Chem
J-GLOBAL ID：201007071959422015   Nikkaji number：J2.890.342A

Platyconic acid C

プラチコン酸C
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： C52H82O25
Molecular formula furigana： C52-H82-O25
Molecular weight： 1107.203
InChI： InChI=1S/C52H82O25/c1-20-38(74-41-35(64)30(59)24(56)17-70-41)34(63)37(66)42(72-20)75-39-31(60)25(57)18-71-44(39)77-46(69)51-12-11-47(2,3)13-22(51)21-7-8-27-48(4)14-23(55)40(76-43-36(65)33(62)32(61)26(16-53)73-43)52(19-54,45(67)68)28(48)9-10-49(27,5)50(21,6)15-29(51)58/h7,20,22-44,53-66H,8-19H2,1-6H3,(H,67,68)/t20-,22-,23-,24+,25-,26+,27+,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,48+,49+,50+,51+,52+/m0/s1
InChI key： IQEVCXWHFXMDFW-RMYDOKDASA-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](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-(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-(ヒドロキシメチル)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-(hydroxymethyl)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-(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C
  • Platyconic acid C
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