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Beta-Eudesmol
CAS: 473-15-4 | C15H26O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
473-15-4
Molecular Formula:
C15H26O
Molecular Mass:
222.37 g/mol
Names and Synonyms:
Beta-Eudesmol
2-Naphthalenemethanol, decahydro-α,α,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-
Eudesm-4(14)-en-11-ol
β-Eudesmol
2-Naphthalenemethanol, decahydro-α,α,4a-trimethyl-8-methylene-, [2R-(2α,4aα,8aβ)]-
2-Naphthalenemethanol, 1,2α,3,4,4a,5,6,7,8,8aα-decahydro-α,α,4aβ-trimethyl-8-methylene-
(2R,4aR,8aS)-Decahydro-α,α,4a-trimethyl-8-methylene-2-naphthalenemethanol
β-Selinenol
(+)-β-Eudesmol
beta-Selinenol
beta-Eudesmol
Identifiers:
SMILES:
C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12
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
Key Properties
Melting Point
75.5-76 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.37 g/mol | CAS Common Chemistry |
| 222.37199999999999 g/mol | RDKit | |
| 222.198365452 g/mol | RDKit | |
| Canonical SMILES | OC(C)(C)C1CCC2(C)CCCC(=C)C2C1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=BOPIMTNSYWYZOC-VNHYZAJKSA-N | CAS Common Chemistry |
| Melting Point | 75.5-76 °C | CAS Common Chemistry |
| Name | beta-Eudesmol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.9200000000000026 | RDKit |
| Molar Refractivity | 68.22680000000005 | RDKit |
