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Substance Name: Davallialactone
RN: 133360-41-5
InChIKey: ZHEIBRWXIBOUFZ-JSZABBEQSA-N

Note

  • From Davallia mariesii.

Molecular Weight

  • 464.424
 
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Names and Synonyms

Name of Substance

  • Davallialactone

Systematic Name

  • 1H,3H-Furo(3,4-c)oxepin-1-one, 3-(3,4-dihydroxyphenyl)-6-(2-(3,4-dihydroxyphenyl)ethenyl)-3a,4-dihydro-8-hydroxy-4-(2-oxopropylidene)-

Registry Numbers

CAS Registry Number

  • 133360-41-5

System Generated Number

  • 0133360415

Structure Descriptors

InChI

1S/C25H20O9/c1-12(26)8-21-23-22(25(32)34-24(23)14-4-7-17(28)19(30)10-14)20(31)11-15(33-21)5-2-13-3-6-16(27)18(29)9-13/h2-11,23-24,27-31H,1H3/b5-2+,21-8-

InChIKey

ZHEIBRWXIBOUFZ-JSZABBEQSA-N

Smiles

O1\C([C@@H]2C(=C(C=C1\C=C\c1cc(c(cc1)O)O)O)C(O[C@@H]2c1cc(c(cc1)O)O)=O)=C/C(C)=O