Chem
J-GLOBAL ID：200907023011476686   Nikkaji number：J760.977I

Pulsatiloside A

プルサチロシドA
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： C35H56O8
Molecular formula furigana： C35-H56-O8
Molecular weight： 604.825
InChI： InChI=1S/C35H56O8/c1-19(2)20-9-14-35(30(40)41)16-15-33(5)21(26(20)35)7-8-24-31(3)12-11-25(43-29-28(39)27(38)22(37)17-42-29)32(4,18-36)23(31)10-13-34(24,33)6/h20-29,36-39H,1,7-18H2,2-6H3,(H,40,41)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,31-,32-,33+,34+,35-/m0/s1
InChI key： LWHTTZZSZRSEDN-YZUAGKRNSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (3)：
  • 3β-(α-L-アラビノピラノシルオキシ)-23-ヒドロキシルパ-20(29)-エン-28-酸
  • (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(ヒドロキシメチル)-5a,5b,8,11a-テトラメチル-1-(プロパ-1-エン-2-イル)-9-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-カルボン酸
  • (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-9-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Other name (3)：
  • プルサチロシドA
  • Pulsatiloside A
  • 3β-(α-L-Arabinopyranosyloxy)-23-hydroxylup-20(29)-en-28-oic acid
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