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Incensole acetate

CAT: 0862-GY7797-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GY7797-1mgSize:1 mg
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CAS Number
34701-53-6
Molecular Formula
C22H36O3
Molecular Weight
348.53
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Incensole acetate

a neuroprotectant from resin of Boswellia carterii; structure in first source

CAS Number34701-53-6
PubChem CID53386731
IUPAC Name[(1R,2S,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate
Molecular FormulaC22H36O3
Molecular Weight348.5
XLogP4.7
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity545
SMILES
C/C/1=C\CC/C(=C/C[C@@]2(CC[C@@](O2)([C@H](CC1)OC(=O)C)C)C(C)C)/C
InChI
InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21+,22+/m0/s1
InChIKey
HVBACKJYWZTKCA-XSLBTUIJSA-N
Chemical Structure
2D Structure
2D structure of Incensole acetate
CAS: 34701-53-6
CID: 53386731
Formula: C22H36O3
MW: 348.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.5
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass348.26644501
Monoisotopic Mass348.26644501
Topological Polar Surface Area35.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TWK01269Incensole acetate
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A22402-10Incensole Acetate 10mg
A22402-1Incensole Acetate 1mg
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