Chem
J-GLOBAL ID：201007030181361171   Nikkaji number：J2.820.079J

Perennisaponin H

ペレンニサポニンH
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： C63H100O28
Molecular formula furigana： C63-H100-O28
Molecular weight： 1305.465
InChI： InChI=1S/C63H100O28/c1-24-37(70)39(72)41(74)53(81-24)88-48-33(68)22-80-52(44(48)77)87-47-27(4)83-55(45(78)49(47)86-29(6)66)89-50-43(76)46(85-28(5)65)26(3)84-56(50)91-57(79)63-18-17-58(7,8)19-31(63)30-13-14-35-59(9)20-32(67)51(90-54-42(75)40(73)38(71)25(2)82-54)60(10,23-64)34(59)15-16-61(35,11)62(30,12)21-36(63)69/h13,24-27,31-56,64,67-78H,14-23H2,1-12H3/t24-,25-,26+,27-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44+,45+,46-,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,59-,60-,61+,62+,63+/m0/s1
InChI key： XASUVSONOJGSDL-CRUXQTRPSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](OC(=O)C)[C@@H](C)O[C@H]4OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](O)[C@@H]3OC(=O)C)[C@@H]2O)[C@H](O)[C@H](O)[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-[3-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-アセチル-β-D-フコピラノシル
  • (2S,3R,4S,5R,6R)-5-(アセチルオキシ)-3-{[(2S,3R,4S,5S,6S)-4-(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}-3-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-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)-5-(acetyloxy)-3-{[(2S,3R,4S,5S,6S)-4-(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}-3-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-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-[3-O-acetyl-4-O-[3-O-(α-L-rhamnopyranosyl)-β-D-xylopyranosyl]-α-L-rhamnopyranosyl]-4-O-acetyl-β-D-fucopyranosyl ester
  • ペレンニサポニンH
  • Perennisaponin H
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