Chem
J-GLOBAL ID：201707010752183870   Nikkaji number：J3.589.909J

Perennisaponin L

ペレンニサポニン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： C69H110O31
Molecular formula furigana： C69-H110-O31
Molecular weight： 1435.608
InChI： InChI=1S/C69H110O31/c1-27(71)20-41(76)89-28(2)21-42(77)95-52-31(5)93-62(56(49(52)84)98-61-55(94-33(7)72)50(85)53(32(6)92-61)96-58-51(86)54(37(74)25-88-58)97-59-47(82)45(80)43(78)29(3)90-59)100-63(87)69-19-18-64(8,9)22-35(69)34-14-15-39-65(10)23-36(73)57(99-60-48(83)46(81)44(79)30(4)91-60)66(11,26-70)38(65)16-17-67(39,12)68(34,13)24-40(69)75/h14,27-32,35-40,43-62,70-71,73-75,78-86H,15-26H2,1-13H3/t27?,28-,29-,30-,31+,32-,35-,36-,37+,38+,39+,40+,43-,44-,45+,46+,47+,48+,49-,50+,51+,52-,53-,54-,55+,56+,57-,58-,59-,60-,61-,62-,65-,66-,67+,68+,69+/m0/s1
InChI key： FPXIRGLHKGQZID-UWAFGQGJSA-N
SMILES： CC(O)CC(=O)O[C@@H](C)CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=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)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2OC(=O)C)[C@H]1O
Systematic name  (3)：
  • 3β-(α-L-ラムノピラノシルオキシ)-2β,16α,23-トリヒドロキシオレアナ-12-エン-28-酸2-O-[2-O-アセチル-4-O-[3-O-(α-L-ラムノピラノシル)-β-D-キシロピラノシル]-α-L-ラムノピラノシル]-4-O-[(S)-3-(3-ヒドロキシブチリルオキシ)ブチリル]-β-D-フコピラノシル
  • (2S,3R,4S,5R,6R)-3-{[(2S,3R,4R,5R,6S)-3-(アセチルオキシ)-5-{[(2S,3R,4S,5R)-3,5-ジヒドロキシ-4-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-ヒドロキシ-5-{[(3S)-3-[(3-ヒドロキシブタノイル)オキシ]ブタノイル]オキシ}-6-メチルオキサン-2-イル (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-ジヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-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,5R,6R)-3-{[(2S,3R,4R,5R,6S)-3-(acetyloxy)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-5-{[(3S)-3-[(3-hydroxybutanoyl)oxy]butanoyl]oxy}-6-methyloxan-2-yl (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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)：
  • 3β-(α-L-Rhamnopyranosyloxy)-2β,16α,23-trihydroxyoleana-12-ene-28-oic acid 2-O-[2-O-acetyl-4-O-[3-O-(α-L-rhamnopyranosyl)-β-D-xylopyranosyl]-α-L-rhamnopyranosyl]-4-O-[(S)-3-(3-hydroxybutyryloxy)butyryl]-β-D-fucopyranosyl ester
  • ペレンニサポニンL
  • Perennisaponin L
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