[(3R,3aS,4R,8aS)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate


Chemical Name: [(3R,3aS,4R,8aS)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
CAS Number: 41743-44-6
Product Number: AG0075DP(AGN-PC-00HO6H)
Synonyms:
MDL No: MFCD00274479
Molecular Formula: C22H30O4
Molecular Weight: 358.4712

Identification/Properties


Computed Properties
Molecular Weight:
358.478g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
358.214g/mol
Monoisotopic Mass:
358.214g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
561
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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