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Cedryl acetate

CAT: 1410-M19099-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M19099-01Size:100 mg
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Description
The fungal transformation of cedryl acetate was investigated for the first time by using Cunninghamella elegans.
CAS Number
77-54-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
264.41
Molecular Formula
C17H28O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Cedryl Acetate

Cedryl acetate is a cedrane sesquiterpenoid.

CAS Number77-54-3
PubChem CID13918856
IUPAC Name[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
Molecular FormulaC17H28O2
Molecular Weight264.4
XLogP4.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity413
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC(=O)C
InChI
InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1
InChIKey
HQKQRXZEXPXXIG-DTWJZALFSA-N
Chemical Structure
2D Structure
2D structure of Cedryl Acetate
CAS: 77-54-3
CID: 13918856
Formula: C17H28O2
MW: 264.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass264.208930132
Monoisotopic Mass264.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes