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Epi-eudesmol

CAT: 0926-QAA05181-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA05181-02Size:10 mg
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CAS Number
15051-81-7
MDL Number
MFCD17214853
Smiles
CC1=C2CC (CCC2 (CCC1) C) C (C) (C) O
Molecular Formula
C15H26O
Molecular Weight
222.37 g/mol
Controlled
No

Chemical Information

10-epi-gamma-Eudesmol

10-epi-gamma-eudesmol is a eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11, has a double bond between C-4 and C-5 and has inversion of configuration at C-10. It has a role as a volatile oil component.

CAS Number15051-81-7
PubChem CID6430754
IUPAC Name2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Molecular FormulaC15H26O
Molecular Weight222.37
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity313
SMILES
CC1=C2C[C@@H](CC[C@@]2(CCC1)C)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/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1
InChIKey
WMOPMQRJLLIEJV-DOMZBBRYSA-N
Chemical Structure
2D Structure
2D structure of 10-epi-gamma-Eudesmol
CAS: 15051-81-7
CID: 6430754
Formula: C15H26O
MW: 222.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.37
XLogP33.4
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
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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