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Substance Name: Armillaric acid
RN: 129251-06-5
InChIKey: AOCKXACXCVTXBB-NJHYUGCKSA-N

Note

  • Produced by Armillaria mellea.

Molecular Formula

  • C23-H28-O7

Molecular Weight

  • 416.467
 
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Names and Synonyms

Name of Substance

  • Armillaric acid

Synonym

  • (2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta))-2-((2,4-Dihydroxy-6-methylbenzoyl)oxy)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut(e)indene-3-carboxylic acid

Systematic Name

  • 1H-Cyclobut(e)indene-3-carboxylic acid, 2-((2,4-dihydroxy-6-methylbenzoyl)oxy)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-, (2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta))-

Registry Numbers

CAS Registry Number

  • 129251-06-5

System Generated Number

  • 0129251065

Structure Descriptors

InChI

1S/C23H28O7/c1-11-5-13(24)7-16(25)18(11)20(28)30-17-10-22(4)15-9-21(2,3)8-12(15)6-14(19(26)27)23(17,22)29/h5-7,12,15,17,24-25,29H,8-10H2,1-4H3,(H,26,27)/t12-,15+,17-,22-,23+/m1/s1

InChIKey

AOCKXACXCVTXBB-NJHYUGCKSA-N

Smiles

C1(C)(C)C[C@H]2C=C([C@@]3(O)[C@]([C@@H]2C1)(C)C[C@H]3OC(=O)c1c(cc(cc1O)O)C)C(O)=O