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Substance Name: Onopordopicrin
RN: 19889-00-0
InChIKey: NOZAJYKZMCFNFG-DGKKXOEVSA-N

Note

  • Isolated from Centaurea sonchifolia.

Molecular Formula

  • C19-H24-O6

Molecular Weight

  • 348.393
 
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Names and Synonyms

Name of Substance

  • Onopordopicrin

Systematic Name

  • 2-Propenoic acid, 2-(hydroxymethyl)-, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4S*,6E,10Z,11aR*))-

Registry Numbers

CAS Registry Number

  • 19889-00-0

System Generated Number

  • 0019889000

Structure Descriptors

InChI

1S/C19H24O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,15-17,20-21H,2-4,6-7,9-10H2,1H3/b11-5-,14-8+/t15-,16+,17+/m0/s1

InChIKey

NOZAJYKZMCFNFG-DGKKXOEVSA-N

Smiles

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