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Substance Name: 4'-Methylmelledonal
RN: 112471-07-5
InChIKey: PETDNGRBYPTDNI-QSNWBFGMSA-N

Molecular Formula

  • C24-H30-O8

Molecular Weight

  • 446.493
 
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Names and Synonyms

Results Name

  • 4'-Methylmelledonal

Synonym

  • 4'-Methylmelledonal

Systematic Name

  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, (2R-(2alpha,2abeta,4aalpha,7beta,7aalpha,7bbeta))-

Registry Numbers

CAS Registry Number

  • 112471-07-5

System Generated Number

  • 0112471075

Structure Descriptors

InChI

1S/C24H30O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,10,16,18-19,26-27,29-30H,9,11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1

InChIKey

PETDNGRBYPTDNI-QSNWBFGMSA-N

Smiles

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