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Substance Name: Armillaritin
RN: 135247-96-0
InChIKey: CXDPJDYGYSRNDR-MTJRIOAFSA-N

Note

  • Isolated from Armillaria mellea mycelium.

Molecular Formula

  • C23-H28-O7

Molecular Weight

  • 416.467
 
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Names and Synonyms

Name of Substance

  • Armillaritin

Systematic Name

  • Benzoic acid, 2,4-dihydroxy-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, (2alpha,2abeta,4aalpha,7aalpha,7bbeta)-(+)-

Registry Numbers

CAS Registry Number

  • 135247-96-0

System Generated Number

  • 0135247960

Structure Descriptors

InChI

1S/C23H28O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,10,16-17,25-26,28-29H,8-9,11H2,1-4H3/t16-,17-,21-,22+,23+/m1/s1

InChIKey

CXDPJDYGYSRNDR-MTJRIOAFSA-N

Smiles

C(c1c(cc(cc1C)O)O)(=O)O[C@@H]1C[C@@]2([C@H]3CC(C[C@@]3(C=C([C@@]12O)C=O)O)(C)C)C