Chem
J-GLOBAL ID：200907067109924366   Nikkaji number：J934.800J

Platycoside B

プラチコシドB
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： C54H86O25
Molecular formula furigana： C54-H86-O25
Molecular weight： 1135.257
InChI： InChI=1S/C54H86O25/c1-22-40(76-44-37(67)33(63)27(60)18-71-44)39(69)42(74-23(2)58)47(73-22)77-41-34(64)28(61)19-72-46(41)79-48(70)54-13-12-49(3,4)14-25(54)24-8-9-30-50(5)15-26(59)43(78-45-38(68)36(66)35(65)29(17-55)75-45)53(20-56,21-57)31(50)10-11-51(30,6)52(24,7)16-32(54)62/h8,22,25-47,55-57,59-69H,9-21H2,1-7H3/t22-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39+,40-,41+,42+,43-,44-,45-,46-,47-,50+,51+,52+,54+/m0/s1
InChI key： URXFZCDHIFETFG-VVOJSFIISA-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)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](OC(=O)C)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2β,16α,23,24-テトラヒドロキシ-3β-(β-D-グルコピラノシルオキシ)オレアナ-12-エン-28-酸2-O-[4-O-(β-D-キシロピラノシル)-2-O-アセチル-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,5S)-3-{[(2S,3R,4R,5R,6S)-3-(アセチルオキシ)-4-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 (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-ジヒドロキシ-9,9-ビス(ヒドロキシメチル)-2,2,6a,6b,12a-ペンタメチル-10-{[(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,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5S)-3-{[(2S,3R,4R,5R,6S)-3-(acetyloxy)-4-hydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(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,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3)：
  • プラチコシドB
  • Platycoside B
  • 2β,16α,23,24-Tetrahydroxy-3β-(β-D-glucopyranosyloxy)olean-12-en-28-oic acid 2-O-[4-O-(β-D-xylopyranosyl)-2-O-acetyl-6-deoxy-α-L-mannopyranosyl]-α-L-arabinopyranosyl ester
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