Chem
J-GLOBAL ID：200907024716008084   Nikkaji number：J356.335I

Licorice saponin C2

リコリスサポニンC2
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： C42H62O15
Molecular formula furigana： C42-H62-O15
Molecular weight： 806.943
InChI： InChI=1S/C42H62O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8-9,21-31,34-35,43-47H,10-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)/t21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1
InChI key： WPDHECQXVOACTR-MOBXHYNLSA-N
SMILES： CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=CC2=C3C[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]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C(=O)O
Systematic name  (4)：
  • 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]オレアナ-11,13(18)-ジエン-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]オレアナ-11,13(18)-ジエン-30-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-カルボキシ-4,4,6a,6b,8a,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-オクタデカヒドロピセン-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,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-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 (3)：
  • 3β-[[2-O-(β-D-Glucopyranuronosyl)-β-D-glucopyranuronosyl]oxy]oleana-11,13(18)-dien-30-oic acid
  • リコリスサポニンC2
  • Licorice saponin C2
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