Chem
J-GLOBAL ID：200907001238567196   Nikkaji number：J467.301H

Phyllanthusiin C

フィランツシイン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： C40H30O26
Molecular formula furigana： C40-H30-O26
Molecular weight： 926.654
InChI： InChI=1S/C40H30O26/c41-12-1-8(2-13(42)22(12)47)33(53)65-37-31-30-28(62-36(56)11-5-16(45)25(50)29-21(11)32-39(58,38(57)64-31)6-18(46)40(32,59)66-29)17(61-37)7-60-34(54)9-3-14(43)23(48)26(51)19(9)20-10(35(55)63-30)4-15(44)24(49)27(20)52/h1-5,17-18,28,30-32,37,41-52,58-59H,6-7H2/t17-,18?,28-,30+,31-,32?,37+,39?,40?/m1/s1
InChI key： OMRFLRKMWATLJO-KCRIIDRDSA-N
SMILES： OC1CC2(O)C3c4c(OC13O)c(O)c(O)cc4C(=O)O[C@@H]1[C@H]3COC(=O)c4cc(O)c(O)c(O)c4c4c(O)c(O)c(O)cc4C(=O)O[C@@H]1[C@@H](OC2=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O3
Systematic name  (3)：
  • 3-O,6-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイル)ビスカルボニル]-2-O,4-O-[[(2,3,3a,8b-テトラヒドロ-1,3,3a,5,6-ペンタヒドロキシ-1H-シクロペンタ[b]ベンゾフラン)-1,8-ジイル]ビスカルボニル]-β-D-グルコピラノース1-(3,4,5-トリヒドロキシベンゾアート)
  • (7R,8S,10R,28S,29R)-1,2,4,16,17,18,21,22,23,34,35-ウンデカヒドロキシ-5,13,26,31-テトラオキソ-6,9,12,27,30,39-ヘキサオキサオクタシクロ[34.2.1.04,38.07,28.010,29.014,19.020,25.032,37]ノナトリアコンタ-14,16,18,20,22,24,32,34,36-ノナエン-8-イル 3,4,5-トリヒドロキシベンゾアート
  • (7R,8S,10R,28S,29R)-1,2,4,16,17,18,21,22,23,34,35-undecahydroxy-5,13,26,31-tetraoxo-6,9,12,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,28.010,29.014,19.020,25.032,37]nonatriaconta-14,16,18,20,22,24,32,34,36-nonaen-8-yl 3,4,5-trihydroxybenzoate
Other name (3)：
  • フィランツシインC
  • Phyllanthusiin C
  • 3-O,6-O-[(4,4′,5,5′,6,6′-Hexahydroxybiphenyl-2,2′-diyl)biscarbonyl]-2-O,4-O-[[(2,3,3a,8b-tetrahydro-1,3,3a,5,6-pentahydroxy-1H-cyclopenta[b]benzofuran)-1,8-diyl]biscarbonyl]-β-D-glucopyranose 1-(3,4,5-trihydroxybenzoate)
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM