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Substance Name: Platycaryanin C
RN: 154971-09-2
UNII: 5J1JI2F5R3
InChIKey: DCIJUQRFHMVFPK-IEOGCJPISA-N

Molecular Formula

  • C82-H54-O53

Molecular Weight

  • 1887.2756
 
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Names and Synonyms

Name of Substance

  • Platycaryanin C

Synonyms

  • D-Glucose, cyclic 4->2':6->2-((1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2,3-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate), 1-ester with beta-D-glucopyranose
  • D-Glucose, cyclic 4->2':6->2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate), 1-ester with beta-D-glucopyranose cyclic 4->
  • Platycaryanin C
  • UNII-5J1JI2F5R3

Registry Numbers

CAS Registry Number

  • 154971-09-2

FDA UNII

  • 5J1JI2F5R3

System Generated Number

  • 0154971092

Structure Descriptors

InChI

1S/C82H54O53/c83-11-35-68(131-77(119)17-3-26(86)46(95)55(104)38(17)37-15(75(117)127-35)1-24(84)45(94)54(37)103)67-33(93)12-124-74(116)21-10-34(53(102)60(109)43(21)41-16(76(118)130-67)2-25(85)49(98)58(41)107)126-65-23(9-31(91)52(101)63(65)112)81(123)135-82-71-70(133-79(121)18-4-27(87)47(96)56(105)39(18)40-19(80(122)134-71)5-28(88)48(97)57(40)106)69-36(128-82)13-125-73(115)14-7-32(92)66(129-64-22(72(113)114)8-30(90)51(100)62(64)111)61(110)44(14)42-20(78(120)132-69)6-29(89)50(99)59(42)108/h1-11,33,35-36,67-71,82,84-112H,12-13H2,(H,113,114)/t33-,35+,36-,67-,68-,69-,70+,71-,82+/m1/s1

InChIKey

DCIJUQRFHMVFPK-IEOGCJPISA-N

Smiles

O[C@@H]1COC(=O)c2cc(Oc3c(O)c(O)c(O)cc3C(=O)O[C@@H]4O[C@@H]5COC(=O)c6cc(O)c(Oc7c(O)c(O)c(O)cc7C(=O)O)c(O)c6c8c(O)c(O)c(O)cc8C(=O)O[C@H]5[C@@H]9OC(=O)c%10cc(O)c(O)c(O)c%10c%11c(O)c(O)c(O)cc%11C(=O)O[C@@H]49)c(O)c(O)c2c%12c(O)c(O)c(O)cc%12C(=O)O[C@H]1[C@@H]%13OC(=O)c%14cc(O)c(O)c(O)c%14c%15c(O)c(O)c(O)cc%15C(=O)O[C@H]%13C=O