Chem
J-GLOBAL ID：201007069305042081   Nikkaji number：J2.890.343J

Platyconic acid D

プラチコン酸D
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： C54H84O26
Molecular formula furigana： C54-H84-O26
Molecular weight： 1149.240
InChI： InChI=1S/C54H84O26/c1-21-39(77-43-36(66)32(62)26(59)18-72-43)38(68)41(75-22(2)57)46(74-21)78-40-33(63)27(60)19-73-45(40)80-48(71)53-13-12-49(3,4)14-24(53)23-8-9-29-50(5)15-25(58)42(79-44-37(67)35(65)34(64)28(17-55)76-44)54(20-56,47(69)70)30(50)10-11-51(29,6)52(23,7)16-31(53)61/h8,21,24-46,55-56,58-68H,9-20H2,1-7H3,(H,69,70)/t21-,24-,25-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35-,36+,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,50+,51+,52+,53+,54+/m0/s1
InChI key： YZEFIGJKLAWBJU-QBPIENSDSA-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](OC(=O)C)[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-(2-O-アセチル-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,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]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,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]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-(2-O-acetyl-4-O-β-D-xylopyranosyl-6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl] ester
  • プラチコン酸D
  • Platyconic acid D
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