Chem
J-GLOBAL ID：200907021960395015   Nikkaji number：J769.806B

Kudinoside C

クジノシドC
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： C53H84O23
Molecular formula furigana： C53-H84-O23
Molecular weight： 1089.232
InChI： InChI=1S/C53H84O23/c1-21-30(58)33(61)36(64)42(69-21)75-40-38(73-45-39(35(63)32(60)25(19-55)71-45)74-43-37(65)34(62)31(59)24(18-54)70-43)23(57)20-68-44(40)72-28-10-11-48(4)26(47(28,2)3)9-12-49(5)27(48)17-22(56)29-41-52(8,67)51(7)14-16-53(41,46(66)76-51)15-13-50(29,49)6/h21-28,30-40,42-45,54-65,67H,9-20H2,1-8H3/t21-,22+,23-,24?,25+,26-,27+,28-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39+,40+,42-,43-,44-,45-,48-,49+,50+,51-,52-,53+/m0/s1
InChI key： OKFRAIRVSPMCCP-AHUBCHFJSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4C[C@@H](O)C4=C6[C@](C)(O)[C@]7(C)CC[C@@]6(CC[C@@]54C)C(=O)O7)C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[[3-O-(2-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-2-O-α-L-ラムノピラノシル-α-L-アラビノピラノシル]オキシ]-12β,19,20-トリヒドロキシウルサ-13(18)-エン-28-酸28,20-ラクトン
  • (1R,4S,5R,8R,10S,13R,14R,16R,19S,20S)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-5-ヒドロキシ-3-{[(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-イル]オキシ}-16,19-ジヒドロキシ-4,5,9,9,13,19,20-ヘプタメチル-21-オキサヘキサシクロ[18.2.2.01,18.04,17.05,14.08,13]テトラコサ-17-エン-22-オン
  • (1R,4S,5R,8R,10S,13R,14R,16R,19S,20S)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-16,19-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-17-en-22-one
Other name (3)：
  • クジノシドC
  • Kudinoside C
  • 3β-[[3-O-(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)-2-O-α-L-rhamnopyranosyl-α-L-arabinopyranosyl]oxy]-12β,19,20-trihydroxyurs-13(18)-en-28-oic acid 28,20-lactone
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