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Substance Name: Armillarinin
RN: 127486-63-9
InChIKey: XOGUZUVXPLTDMB-FUVFEPFRSA-N

Note

  • Sesquiterpenoid aromatic ester from Armillaria mellea.

Molecular Weight

  • 464.9391
 
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Names and Synonyms

Name of Substance

  • Armillarinin

Systematic Name

  • Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester

Registry Numbers

CAS Registry Number

  • 127486-63-9

System Generated Number

  • 0127486639

Structure Descriptors

InChI

1S/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1

InChIKey

XOGUZUVXPLTDMB-FUVFEPFRSA-N

Smiles

Cc1c(c(cc(c1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C