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Substance Name: Armillarilin
RN: 127500-59-8
InChIKey: JGQMXVRWAOSIBE-NUXVFQDLSA-N

Note

  • Sesquiterpenoid aromatic ester from Armillaria mellea.

Molecular Weight

  • 430.494
 
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Names and Synonyms

Name of Substance

  • Armillarilin

Systematic Name

  • Benzoic acid, 2-hydroxy-4-methoxy-6-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

  • 127500-59-8

System Generated Number

  • 0127500598

Structure Descriptors

InChI

1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3/t17-,18-,22-,23+,24+/m1/s1

InChIKey

JGQMXVRWAOSIBE-NUXVFQDLSA-N

Smiles

Cc1cc(cc(c1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C)O)OC