Chem
J-GLOBAL ID：200907039259394256   Nikkaji number：J258.728I

Mammoside I

マンモシドI
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： C40H72O19
Molecular formula furigana： C40-H72-O19
Molecular weight： 856.997
InChI： InChI=1S/C40H72O19/c1-6-7-13-16-23(17-14-11-9-8-10-12-15-18-24(41)42)56-40-36(28(46)26(44)20(3)53-40)59-39-33(51)30(48)35(22(5)55-39)58-38-32(50)29(47)34(21(4)54-38)57-37-31(49)27(45)25(43)19(2)52-37/h19-23,25-40,43-51H,6-18H2,1-5H3,(H,41,42)/t19-,20+,21-,22-,23-,25-,26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40-/m0/s1
InChI key： YWGSNDLKHDCUPK-CHPIRXAKSA-N
SMILES： CCCCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • (11S)-11-[[2-O-[4-O-(4-O-α-L-ラムノピラノシル-α-L-ラムノピラノシル)-α-L-ラムノピラノシル]-β-D-フコピラノシル]オキシ]ヘキサデカン酸
  • (11S)-11-{[(2R,3R,4S,5R,6R)-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-6-メチル-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-イル]オキシ}-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}ヘキサデカン酸
  • (11S)-11-{[(2R,3R,4S,5R,6R)-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoic acid
Other name (5)：
  • オペルクリン酸C
  • Operculinic acid C
  • (11S)-11-[[2-O-[4-O-(4-O-α-L-Rhamnopyranosyl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-β-D-fucopyranosyl]oxy]hexadecanoic acid
  • マンモシドI
  • Mammoside I
CAS registry number： 126642-32-8
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