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Substance Name: Hydroxyisonobilin
RN: 63549-62-2
InChIKey: SDFKKMBWIQKUOQ-XCPJPICESA-N

Note

  • Sesquiterpene lactone.

Molecular Formula

  • C20-H26-O6

Molecular Weight

  • 362.419
 
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Names and Synonyms

Name of Substance

  • Hydroxyisonobilin

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca(b)furan-4-yl ester

Registry Numbers

CAS Registry Number

  • 63549-62-2

System Generated Number

  • 0063549622

Structure Descriptors

InChI

1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6+,12-8-

InChIKey

SDFKKMBWIQKUOQ-XCPJPICESA-N

Smiles

C1[C@@H](C(=C)C[C@@H]([C@@H]2[C@@H](OC(=O)C2=C)C=C(C)[C@@H]1O)OC(\C(=C\C)C)=O)O