Chem
J-GLOBAL ID：200907024605292034   Nikkaji number：J1.667.009J

18α-Glycyrrhetic acid 3-O-glucuronide

18α-グリチルレチン酸3-O-グルクロニド
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： C36H54O10
Molecular formula furigana： C36-H54-O10
Molecular weight： 646.818
InChI： InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21+,22+,23+,24+,25-,26+,27-,29-,32-,33+,34+,35-,36-/m1/s1
InChI key： HLDYLAJAWSKPFZ-QHTHLUDZSA-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(=O)O
Systematic name  (4)：
  • (18α)-3β-(β-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
  • (18α)-3β-(β-D-グルクロノピラノシルオキシ)-11-オキソオレアナ-12-エン-30-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aS,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}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aS,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}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (4)：
  • (18α)-3β-(β-D-Glucopyranuronosyloxy)-11-oxooleana-12-ene-30-oic acid
  • (18α)-3β-(β-D-Glucurono pyranosyloxy)-11-oxooleana-12-ene-30-oic acid
  • 18α-グリチルレチン酸3-O-グルクロニド
  • 18α-Glycyrrhetic acid 3-O-glucuronide
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