Chem
J-GLOBAL ID：200907048220129317   Nikkaji number：J386.847H

Araboglycyrrhizin

アピオグリチルリチン
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/c1-36(2)23-8-11-41(7)31(21(42)16-19-20-17-38(4,35(50)51)13-12-37(20,3)14-15-40(19,41)6)39(23,5)10-9-24(36)53-34-30(27(46)26(45)29(54-34)32(48)49)55-33-28(47)25(44)22(43)18-52-33/h16,20,22-31,33-34,43-47H,8-15,17-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,22-,23-,24-,25-,26-,27-,28+,29-,30+,31+,33-,34-,37+,38-,39-,40+,41+/m0/s1
InChI key： DTMJARJUCFBMFR-ZHGMGIEYSA-N
SMILES： CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • (20S)-3β-[(2-O-α-L-アラビノピラノシル-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}-3,4-ジヒドロキシ-5-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}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}-3,4-dihydroxy-5-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (5)：
  • アラボグリシルリチン
  • Araboglycyrrhizin
  • (20S)-3β-[(2-O-α-L-Arabinopyranosyl-α-D-glucopyranuronosyl)oxy]-11-oxoolean-12-en-30-oic acid
  • アラボグリチルリチン
  • アピオグリチルリチン
CAS registry number： 121687-83-0
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