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Substance Name: Emblicanin A
RN: 180465-44-5
UNII: 0T0143S5US
InChIKey: UEHSSTYZXFBDNL-DNOBIOAJSA-N

Note

  • Isolated from Emblica officinalis.

Molecular Formula

  • C34-H22-O22

Molecular Weight

  • 782.5258
 
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Names and Synonyms

Name of Substance

  • Emblicanin A

Synonyms

  • D-Erythro-hex-2-enonic acid
  • D-Erythro-hex-2-enonic acid, delta-lactone, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2,3-bis(3,4,5-trihydroxybenzoate)
  • Emblicanin A
  • UNII-0T0143S5US

Registry Numbers

CAS Registry Number

  • 180465-44-5

FDA UNII

  • 0T0143S5US

System Generated Number

  • 0180465445

Structure Descriptors

InChI

1S/C34H22O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27,35-46H,7H2/t18-,27-/m1/s1

InChIKey

UEHSSTYZXFBDNL-DNOBIOAJSA-N

Smiles

Oc1cc(cc(O)c1O)C(=O)OC2=C(OC(=O)c3cc(O)c(O)c(O)c3)C(=O)O[C@@H]4COC(=O)c5cc(O)c(O)c(O)c5c6c(O)c(O)c(O)cc6C(=O)O[C@@H]24