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Beta-Eudesmol

CAT: 0607-BA3385-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3385-10Size:10 mg
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CAS Number
473-15-4
Form
A solid
Molecular Formula
C15H26O
Molecular Weight
222.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Beta-Eudesmol

Beta-eudesmol is a carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). It has a role as a volatile oil component. It is a tertiary alcohol, a carbobicyclic compound and a eudesmane sesquiterpenoid.

CAS Number473-15-4
PubChem CID91457
IUPAC Name2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
Molecular FormulaC15H26O
Molecular Weight222.37
XLogP3.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity292
SMILES
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1
InChIKey
BOPIMTNSYWYZOC-VNHYZAJKSA-N
Chemical Structure
2D Structure
2D structure of Beta-Eudesmol
CAS: 473-15-4
CID: 91457
Formula: C15H26O
MW: 222.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.37
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass222.198365449
Monoisotopic Mass222.198365449
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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