Chem
J-GLOBAL ID：200907004421322231   Nikkaji number：J505.796E

Subproside V

スブプロシドV
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： C54H88O24
Molecular formula furigana： C54-H88-O24
Molecular weight： 1121.274
InChI： InChI=1S/C54H88O24/c1-22-31(59)34(62)40(68)46(72-22)77-42-36(64)33(61)26(19-56)74-47(42)78-43-38(66)37(65)41(44(69)70)76-48(43)75-30-11-12-51(4)27(52(30,5)20-57)10-13-54(7)28(51)9-8-23-24-16-49(2,17-29(58)50(24,3)14-15-53(23,54)6)21-71-45-39(67)35(63)32(60)25(18-55)73-45/h8,22,24-43,45-48,55-68H,9-21H2,1-7H3,(H,69,70)/t22-,24-,25+,26+,27+,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38-,39+,40+,41-,42+,43+,45+,46-,47-,48+,49+,50+,51-,52+,53+,54+/m0/s1
InChI key： IXHXAYXWWMQCOR-TYRZQETISA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)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@@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@H](O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[[2-O-(2-O-α-L-ラムノピラノシル-β-D-ガラクトピラノシル)-β-D-グルクロノピラノシル]オキシ]-22β,24-ジヒドロキシオレアナ-12-エン-30-イルβ-D-グルコピラノシド
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-ヒドロキシ-4-(ヒドロキシメチル)-4,6a,6b,8a,11,14b-ヘキサメチル-11-({[(2R,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}メチル)-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-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-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}-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,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-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-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Other name (3)：
  • スブプロシドV
  • Subproside V
  • 3β-[[2-O-(2-O-α-L-Rhamnopyranosyl-β-D-galactopyranosyl)-β-D-glucurono pyranosyl]oxy]-22β,24-dihydroxyolean-12-en-30-yl β-D-glucopyranoside
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