Chem
J-GLOBAL ID：200907075921204876   Nikkaji number：J358.313I

Licorice saponin B2

リコリスサポニンB2
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： C42H64O16
Molecular formula furigana： C42-H64-O16
Molecular weight： 824.958
InChI： InChI=1S/C42H64O16/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/h7,20-31,34-35,43-48H,8-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t20-,21+,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1
InChI key： SLWCVFLNZDOMEZ-WFCUWKETSA-N
SMILES： C[C@]12CC[C@@](C)(C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)C(=O)O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O
Systematic name  (4)：
  • 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-12-エン-30-酸
  • 3β-[(2-O-β-D-グルコピラヌロノシル-β-D-グルコピラヌロノシル)オキシ]-24-ヒドロキシオレアナ-12-エン-30-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-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,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-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,12aR,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-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 (6)：
  • Licorice saponin B2
  • リコリスサポニンB2
  • 24-Hydroxy-3β-[[2-O-(6-oxo-β-D-glucopyranosyl)-6-oxo-β-D-glucopyranosyl]oxy]olean-12-en-30-oic acid
  • 3β-[(2-O-β-D-Glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-24-hydroxyoleana-12-ene-30-oic acid
  • リコリスサポニンJ2
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