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Molecule
(+)-Euphol
CAS: 514-47-6 · C30H50O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 514-47-6
- Molecular Formula
- C30H50O
- Molecular Mass
- 426.73 g/mol
Identifiers
CAS Registry Number
514-47-6
SMILES
CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChI Key
CAHGCLMLTWQZNJ-WZLOIPHISA-N
InChI
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1
Names and Synonyms
- (+)-Euphol Common Name
- Lanosta-8,24-dien-3-ol, (3β,13α,14β,17α)- Synonym
- 13α,14β,17βH-Lanosta-8,24-dien-3β-ol Synonym
- Euphol Synonym
- (3β,13α,14β,17α)-Lanosta-8,24-dien-3-ol Synonym
- Euphadienol Synonym
- Eupha-8,24-dienol Synonym
- 5α-Eupha-8,24-dien-3β-ol Synonym
- (+)-Euphol Synonym
- Eupha-8,24-dien-3β-ol Synonym
- (+)-Eupha-8,24-dien-3β-ol Synonym
- NSC 36571 Synonym
- α-Euphol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.73 g/mol | CAS Common Chemistry |
| 426.7290000000002 g/mol | RDKit | |
| 426.729 g/mol | RDKit | |
| Canonical SMILES | OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CCC(C(C)CCC=C(C)C)C4(C)CC3)C | CAS Common Chemistry |
| InChI | InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CAHGCLMLTWQZNJ-WZLOIPHISA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | (+)-Euphol | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 8.479100000000006 | RDKit |
| 8.4791 | RDKit | |
| Molar Refractivity | 132.87980000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8667 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 426.38616621999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 426.73 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C30H50O.
