Chem
J-GLOBAL ID：200907005692254149   Nikkaji number：J358.314G

Licorice saponin K2

リコリスサポニンK2
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： C42H62O16
Molecular formula furigana： C42-H62-O16
Molecular weight： 822.942
InChI： InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,34+,35-,37-,38+,39+,40-,41-,42-/m1/s1
InChI key： IPBGQSWRSQPGCF-LIOOBZAHSA-N
SMILES： C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)C(=O)O)[C@](C)(CO)[C@@H]2CC[C@@]31C)C(=O)O
Systematic name  (3)：
  • 24-ヒドロキシ-3β-[[2-O-(6-オキソ-β-D-グルコピラノシル)-6-オキソ-β-D-グルコピラノシル]オキシ]オレアナ-11,13(18)-ジエン-30-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-カルボキシ-4-(ヒドロキシメチル)-4,6a,6b,8a,11,14b-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-オクタデカヒドロピセン-3-イル]オキシ}-5-{[(2R,3R,4S,5S,6S)-6-カルボキシ-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-3,4-ジヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Other name (3)：
  • Licorice saponin K2
  • リコリスサポニンK2
  • 24-Hydroxy-3β-[[2-O-(6-oxo-β-D-glucopyranosyl)-6-oxo-β-D-glucopyranosyl]oxy]oleana-11,13(18)-dien-30-oic acid
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