 Home > Encyclopedia > [(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-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-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 structure

CAS No:
112471-07-5
Formula:
C24H30O8
Chemical Name:
[(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
Synonyms:
5'-O-methylmelledonal;112471-07-5;4'-Methylmelledonal;DTXSID50920764;J3.530.522J;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;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))-

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[(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 Basic Attributes

Molecular Weight：

446.5 g/mol

Exact Mass：

446.19406791 g/mol

Characteristics

PSA：

134 Å²

Computed Properties

Molecular Weight:446.5
XLogP3:2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:446.19406791
Monoisotopic Mass:446.19406791
Topological Polar Surface Area:134
Heavy Atom Count:32
Complexity:838
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(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

Basic Attributes
Characteristics
Computed Properties

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