5'-O-methylmelledonal

[(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate

Also Known As: 5'-O-methylmelledonal|4'-Methylmelledonal|J3.530.522J|(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate|(2R,2aS,4aR,7R,7aS,7bR)-3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate|[(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate|[(2R,2aS,4aR,7R,7aS,7bR)-3-ormyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate|2-Methyl-6-hydroxy-4-methoxybenzoic acid (2R)-2aalpha,4abeta,7alpha-trihydroxy-3-formyl-6,6,7balpha-trimethyl-2,2a,4a,5,6,7,7abeta,7b-octahydro-1H-cyclobuta[e]indene-2beta-yl ester|2-Methyl-6-hydroxy-4-methoxybenzoic acid (2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indene-2-yl ester|3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate|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))-

Molecular Formula	C24H30O8
Molecular Weight	446.19406 g/mol
LogP	2.4
Topological Polar Surface Area	134.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	446.19406
Monoisotopic Mass	446.19406
Heavy Atoms	32
Complexity	838.0

Chemical Identifiers

CAS Number	112471-07-5
SMILES	CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)C=O)O)C)O)OC
InChIKey	PETDNGRBYPTDNI-QSNWBFGMSA-N