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Substance Name: Filixic acid pbb
RN: 49582-09-4
UNII: NCC470205T
InChIKey: FQQZLMBKBGEPRC-UHFFFAOYSA-N

Molecular Formula

  • C35-H42-O12

Molecular Weight

  • 654.7048
 
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Names and Synonyms

Name of Substance

  • Filixic acid pbb

Synonyms

  • 2,5-Cyclohexadien-1-one, 2-((3-((2,4-dihydroxy-3,3-dimethyl-6-oxo-5-(1-oxobutyl)-1,4-cyclohexadien-1-yl)methyl)-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,4-dimethyl-6-(1-oxopropyl)-
  • Filixic acid pbb
  • Filixic acids pbb [MI]
  • UNII-NCC470205T

Registry Numbers

CAS Registry Number

  • 49582-09-4

FDA UNII

  • NCC470205T

System Generated Number

  • 0049582094

Structure Descriptors

InChI

1S/C35H42O12/c1-8-11-20(37)22-26(40)15(13-17-28(42)23(19(36)10-3)32(46)34(4,5)30(17)44)25(39)16(27(22)41)14-18-29(43)24(21(38)12-9-2)33(47)35(6,7)31(18)45/h39-41,44-47H,8-14H2,1-7H3

InChIKey

FQQZLMBKBGEPRC-UHFFFAOYSA-N

Smiles

CCCC(=O)c1c(c(c(c(c1O)CC2=C(C(C(=C(C2=O)C(=O)CCC)O)(C)C)O)O)CC3=C(C(C(=C(C3=O)C(=O)CC)O)(C)C)O)O