Chem
J-GLOBAL ID：200907039371966521   Nikkaji number：J386.846J

Apioglycyrrhizin

アピオグリシルリチン
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： C41H62O14
Molecular formula furigana： C41-H62-O14
Molecular weight： 778.933
InChI： InChI=1S/C41H62O14/c1-35(2)23-8-11-40(7)29(22(43)16-20-21-17-37(4,34(49)50)13-12-36(21,3)14-15-39(20,40)6)38(23,5)10-9-24(35)53-32-28(26(45)25(44)27(54-32)31(47)48)55-33-30(46)41(51,18-42)19-52-33/h16,21,23-30,32-33,42,44-46,51H,8-15,17-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,23-,24-,25-,26-,27-,28+,29+,30-,32-,33-,36+,37-,38-,39+,40+,41+/m0/s1
InChI key： RETHOWGCGNZYSL-NNWQLOHHSA-N
SMILES： C[C@]12CC[C@@](C)(C[C@H]1C1=CC(=O)[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]5OC[C@](O)(CO)[C@H]5O)C(=O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O
Systematic name  (3)：
  • (20S)-3β-[(2-O-D-アピオ-β-D-フラノシル-α-D-グルコピラヌロノシル)オキシ]-11-オキソオレアナ-12-エン-30-酸
  • (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-カルボキシ-4,4,6a,6b,8a,11,14b-ヘプタメチル-14-オキソ-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,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-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,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-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,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Other name (3)：
  • アピオグリシルリチン
  • Apioglycyrrhizin
  • (20S)-3β-[(2-O-D-Apio-β-D-furanosyl-α-D-glucopyranuronosyl)oxy]-11-oxoolean-12-en-30-oic acid
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