Chem
J-GLOBAL ID：200907055538412138   Nikkaji number：J358.312K

Licorice-saponin H2

リコリスサポニンH2
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： C42H62O16
Molecular formula furigana： C42-H62-O16
Molecular weight： 822.942
InChI： InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39+,40-,41+,42+/m0/s1
InChI key： LPLVUJXQOOQHMX-ZKXOMTPPSA-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]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C(=O)O
Systematic name  (5)：
  • 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]-11-オキソオレアナ-12-エン-29-酸
  • 11-オキソ-3β-[[2-O-(6-オキソ-β-D-グルコピラノシル)-6-オキソ-β-D-グルコピラノシル]オキシ]オレアナ-12-エン-29-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)-11-オキソオレアナ-12-エン-29-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,11R,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-{[(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,11R,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-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Other name (6)：
  • Licorice saponin H2
  • リコリスサポニンH2
  • 11-Oxo-3β-[[2-O-(6-oxo-β-D-glucopyranosyl)-6-oxo-β-D-glucopyranosyl]oxy]olean-12-en-29-oic acid
  • 3β-(2-O-β-D-Glucopyranuronosyl-β-D-glucopyranuronosyloxy)-11-oxooleana-12-ene-29-oic acid
  • リコリスサポニンH2
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CAS registry number： 118441-85-3
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