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Acetyl cedrene

CAT: 0931-T20795-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T20795-02Size:50 mg
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CAS Number
32388-55-9
Target
Others
Related Pathways
Others
Bioactivity
Acetyl cedrene belongs to the fragrance structural group Alkyl Cyclic Ketones.
Smiles
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(C(C)=O)=C3C
Molecular Formula
C17H26O
Molecular Weight
246.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acetylcedrene

structure in first source

CAS Number32388-55-9
PubChem CID16220111
IUPAC Name1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
Molecular FormulaC17H26O
Molecular Weight246.4
XLogP4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity443
SMILES
C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=C(C3)C(=O)C)C
InChI
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
InChIKey
YBUIAJZFOGJGLJ-SWRJLBSHSA-N
Chemical Structure
2D Structure
2D structure of Acetylcedrene
CAS: 32388-55-9
CID: 16220111
Formula: C17H26O
MW: 246.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass246.198365449
Monoisotopic Mass246.198365449
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19202070-01Acetyl cedrene
JH335954(+) -β-Cedrene
sc-233763(-) -α-Cedrene
HY-135190-01(-) -Cedrene
RG-E141252-01β-Cedrene
C05915-01(-) -a-Cedrene
HY-N13302-01Cedrene
RG-E141251-01α-Cedrene
TRC-C364863-1G(-)-alpha-Cedrene (contains (+)-beta-cedrene)
TRC-C364868-100MG(+)-beta-Cedrene (major, contains (-)-cedrene)

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