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Substance Name: Paratocarpin B
RN: 161099-57-6
UNII: 0536M66IHB
InChIKey: WRNYEZGVIHDIGH-YRNVUSSQSA-N

Molecular Formula

  • C25-H26-O4

Molecular Weight

  • 390.4764
 
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Names and Synonyms

Name of Substance

  • Paratocarpin B

Synonyms

  • 2-Propen-1-one, 1-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-, (2E)-
  • Paratocarpin B
  • UNII-0536M66IHB

Registry Numbers

CAS Registry Number

  • 161099-57-6

FDA UNII

  • 0536M66IHB

System Generated Number

  • 0161099576

Structure Descriptors

InChI

1S/C25H26O4/c1-16(2)5-8-18-15-17(6-10-21(18)26)7-11-22(27)19-9-12-23-20(24(19)28)13-14-25(3,4)29-23/h5-7,9-15,26,28H,8H2,1-4H3/b11-7+

InChIKey

WRNYEZGVIHDIGH-YRNVUSSQSA-N

Smiles

CC(=CCc1cc(ccc1O)/C=C/C(=O)c2ccc3c(c2O)C=CC(O3)(C)C)C