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Molecule
Lanosterol
CAS: 79-63-0 · C30H50O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 79-63-0
- Molecular Formula
- C30H50O
- Molecular Mass
- 426.73 g/mol
Identifiers
CAS Registry Number
79-63-0
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-BQNIITSRSA-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
- Lanosterol Common Name
- Lanosta-8,24-dien-3-ol, (3β)- Synonym
- Lanosta-8,24-dien-3β-ol Synonym
- Lanosterol Synonym
- Lanostadien-3β-ol Synonym
- (3β)-Lanosta-8,24-dien-3-ol Synonym
- Lanster Synonym
- 4,4,14α-Trimethylcholesta-8,24-dien-3β-ol Synonym
- 5α-Lanosta-8,24-dien-3β-ol Synonym
- Lanosta-8,24-dienol Synonym
- Lanosterin Synonym
- 3β-Hydroxylanosta-8,24-diene Synonym
- NSC 60677 Synonym
- 3β-Hydroxy-lansota-8,24-dien-21-oic acid 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lanosterol | CAS Common Chemistry |
| 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-BQNIITSRSA-N | CAS Common Chemistry |
| Melting Point | 140.5 °C | CAS Common Chemistry |
| Name | Lanosterol | 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.
External Resources
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MW = 426.73 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C30H50O.
