Chem
J-GLOBAL ID：200907037998176361   Nikkaji number：J2.316.010B

Murucoidin V

ムルコイジン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： C56H96O25
Molecular formula furigana： C56-H96-O25
Molecular weight： 1169.359
InChI： InChI=1S/C56H96O25/c1-10-13-19-22-32-23-20-17-15-14-16-18-21-24-34(58)75-47-42(66)44(30(8)71-55(47)80-46-38(62)35(59)28(6)69-54(46)73-32)78-56-49(77-51(68)27(5)12-3)48(81-53-40(64)37(61)36(60)33(25-57)74-53)45(31(9)72-56)79-52-41(65)39(63)43(29(7)70-52)76-50(67)26(4)11-2/h26-33,35-49,52-57,59-66H,10-25H2,1-9H3/t26-,27-,28+,29-,30-,31-,32?,33+,35-,36+,37-,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,52-,53-,54+,55-,56-/m0/s1
InChI key： UGFCYMGNAMSNEL-CKMRNGECSA-N
SMILES： CCCCCC1CCCCCCCCCC(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3OC(=O)[C@@H](C)CC)[C@H](C)O[C@H]2O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@@H]2O1
Systematic name  (3)：
  • (1S,15R,17R,20S,22R)-16α,23β,24β-トリヒドロキシ-3β-ペンチル-17β-[2-O-[(2S)-2-メチルブチリル]-3-O-β-D-グルコピラノシル-4-O-[4-O-[(2S)-2-メチルブチリル]-α-L-ラムノピラノシル]-α-L-ラムノピラノシルオキシ]-18α,25β-ジメチル-2,14,19,21,26-ペンタオキサトリシクロ[20.4.0.015,20]ヘキサコサン-13-オン
  • (2S,3R,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-6-メチル-5-{[(2S)-2-メチルブタノイル]オキシ}オキサン-2-イル]オキシ}-6-メチル-2-{[(1R,3S,5S,6R,7R,8R,20S,22S,24R,25R,26S)-7,25,26-トリヒドロキシ-5,24-ジメチル-10-オキソ-20-ペンチル-2,4,9,21,23-ペンタオキサトリシクロ[20.4.0.03,8]ヘキサコサン-6-イル]オキシ}-4-{[(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-3-イル (2S)-2-メチルブタノアート
  • (2S,3R,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1R,3S,5S,6R,7R,8R,20S,22S,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl (2S)-2-methylbutanoate
Other name (3)：
  • (1S,15R,17R,20S,22R)-16α,23β,24β-Trihydroxy-3β-pentyl-17β-[2-O-[(2S)-2-methylbutyryl]-3-O-β-D-glucopyranosyl-4-O-[4-O-[(2S)-2-methylbutyryl]-α-L-rhamnopyranosyl]-α-L-rhamnopyranosyloxy]-18α,25β-dimethyl-2,14,19,21,26-pentaoxatricyclo[20.4.0.015,20]hexacosane-13-one
  • Murucoidin V
  • ムルコイジンV
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