Chem
J-GLOBAL ID：200907096202576815   Nikkaji number：J1.005.868F

Licorice saponin L3

リコリスサポニンL3
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： C49H76O20
Molecular formula furigana： C49-H76-O20
Molecular weight： 985.127
InChI： InChI=1S/C49H76O20/c1-21-30(53)32(55)35(58)40(64-21)68-37-31(54)25(52)19-63-41(37)69-38-34(57)33(56)36(39(59)60)67-42(38)66-28-12-13-46(5)26(47(28,6)20-50)11-14-49(8)27(46)10-9-23-24-17-44(3,43(61)62)18-29(65-22(2)51)45(24,4)15-16-48(23,49)7/h9,21,24-38,40-42,50,52-58H,10-20H2,1-8H3,(H,59,60)(H,61,62)/t21-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45+,46-,47+,48+,49+/m0/s1
InChI key： GKTXWZIFMHNHSM-KMEHSFQVSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5C[C@](C)(C[C@@H](OC(=O)C)[C@]5(C)CC[C@@]43C)C(=O)O)[C@@]2(C)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[[2-O-(2-O-α-L-ラムノピラノシル-α-L-アラビノピラノシル)-β-D-グルコピラヌロノシル]オキシ]-22β-アセトキシ-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,8aR,9R,11R,12aS,14aR,14bR)-9-(アセチルオキシ)-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-{[(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(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}-3,4-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,8aR,9R,11R,12aS,14aR,14bR)-9-(acetyloxy)-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-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Other name (3)：
  • 3β-[[2-O-(2-O-α-L-Rhamnopyranosyl-α-L-arabinopyranosyl)-β-D-glucopyranuronosyl]oxy]-22β-acetoxy-24-hydroxy-oleana-12-ene-30-oic acid
  • リコリスサポニンL3
  • Licorice saponin L3
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM