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Substance Name: Chlorojanerin
RN: 64205-85-2
InChIKey: UHEMKMBRGXUBMJ-URUZQALBSA-N

Note

  • From Centaurea solstitialis L.

Molecular Formula

  • C19-H23-Cl-O7

Molecular Weight

  • 398.837
 
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Names and Synonyms

Results Name

  • Chlorojanerin

Synonym

  • Chlorojanerin

Systematic Name

  • 2-Propenoic acid, 2-(hydroxymethyl)-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,6aalpha,8beta,9alpha,9aalpha,9bbeta))-

Registry Numbers

CAS Registry Number

  • 64205-85-2

Other Registry Number

  • 95672-94-9

System Generated Number

  • 0064205852

Structure Descriptors

InChI

1S/C19H23ClO7/c1-8-4-12(26-17(23)9(2)6-21)14-10(3)18(24)27-16(14)15-11(8)5-13(22)19(15,25)7-20/h11-16,21-22,25H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1

InChIKey

UHEMKMBRGXUBMJ-URUZQALBSA-N

Smiles

C(C(=C)CO)(=O)O[C@H]1CC([C@@H]2C[C@@H]([C@]([C@H]2[C@H]2OC(C([C@H]12)=C)=O)(O)CCl)O)=C