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Substance Name: Petasiphenol
RN: 145904-50-3
InChIKey: VMNHBRAHVFOYGK-ZZXKWVIFSA-N

Note

  • Bio-antimutagen from scapes of Petasites japonicum.

Molecular Formula

  • C18-H16-O7

Molecular Weight

  • 344.317
 
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Names and Synonyms

Name of Substance

  • Petasiphenol

Synonym

  • 3-(3,4-Dihydroxyphenyl)-2-oxopropyl caffeate

Systematic Name

  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-(3,4-dihydroxyphenyl)-2-oxopropyl ester

Registry Numbers

CAS Registry Number

  • 145904-50-3

System Generated Number

  • 0145904503

Structure Descriptors

InChI

1S/C18H16O7/c19-13(7-12-2-5-15(21)17(23)9-12)10-25-18(24)6-3-11-1-4-14(20)16(22)8-11/h1-6,8-9,20-23H,7,10H2/b6-3+

InChIKey

VMNHBRAHVFOYGK-ZZXKWVIFSA-N

Smiles

c1c(c(ccc1CC(COC(=O)\C=C\c1cc(c(cc1)O)O)=O)O)O