Chem
J-GLOBAL ID：200907089178747739   Nikkaji number：J358.310D

Licorice saponin F3

リコリスサポニンF3
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： C48H72O19
Molecular formula furigana： C48-H72-O19
Molecular weight： 953.085
InChI： InChI=1S/C48H72O19/c1-19-26(49)27(50)32(55)39(61-19)66-36-31(54)29(52)34(38(58)59)65-41(36)67-35-30(53)28(51)33(37(56)57)64-40(35)62-24-12-13-46(6)22(43(24,2)3)11-14-48(8)23(46)10-9-20-21-17-44(4)18-25(63-42(44)60)45(21,5)15-16-47(20,48)7/h9,19,21-36,39-41,49-55H,10-18H2,1-8H3,(H,56,57)(H,58,59)/t19-,21-,22-,23+,24-,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,35+,36+,39-,40+,41-,44+,45+,46-,47+,48+/m0/s1
InChI key： NUXMXYUOCFBORQ-WRHPCYKHSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5C[C@]6(C)C[C@@H](OC6=O)[C@]5(C)CC[C@@]43C)C2(C)C)C(=O)O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 22β-ヒドロキシ-3β-[[2-O-[2-O-(α-L-ラムノピラノシル)-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-30-酸30,22-ラクトン
  • (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-6-カルボキシ-2-{[(1R,2R,5S,6R,9R,11S,14R,15R,19S,21R)-2,5,6,10,10,14,21-ヘプタメチル-22-オキソ-23-オキサヘキサシクロ[19.2.1.02,19.05,18.06,15.09,14]テトラコサ-17-エン-11-イル]オキシ}-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-6-carboxy-2-{[(1R,2R,5S,6R,9R,11S,14R,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3)：
  • リコリスサポニンF3
  • Licorice saponin F3
  • 22β-Hydroxy-3β-[[2-O-[2-O-(α-L-rhamnopyranosyl)-6-oxo-β-D-glucopyranosyl]-6-oxo-β-D-glucopyranosyl]oxy]olean-12-en-30-oic acid 30,22-lactone
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