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Substance Name: Isorupestonic acid
RN: 139953-21-2
InChIKey: DQHZYBAJZKMYQB-IYYTYJHQSA-N

Note

  • From Artemisia rupestris L.

Molecular Weight

  • 234.293
 
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Names and Synonyms

Name of Substance

  • Isorupestonic acid

Systematic Name

  • 5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-8-methyl-alpha-methylene-2-oxo-, (5R-(5alpha,8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 139953-21-2

System Generated Number

  • 0139953212

Structure Descriptors

InChI

1S/C14H18O3/c1-8-3-4-10(9(2)14(16)17)5-11-6-12(15)7-13(8)11/h6,8,10,13H,2-5,7H2,1H3,(H,16,17)/t8-,10+,13+/m0/s1

InChIKey

DQHZYBAJZKMYQB-IYYTYJHQSA-N

Smiles

C1C(C=C2C[C@@H](CC[C@@H]([C@@H]12)C)C(C(=O)O)=C)=O