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Lanosterol
CAS: 79-63-0 | C30H50O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
79-63-0
Molecular Formula:
C30H50O
Molecular Mass:
426.73 g/mol
Names and Synonyms:
Lanosterol
Lanosta-8,24-dien-3-ol, (3β)-
Lanosta-8,24-dien-3β-ol
Lanosterol
Lanostadien-3β-ol
(3β)-Lanosta-8,24-dien-3-ol
Lanster
4,4,14α-Trimethylcholesta-8,24-dien-3β-ol
5α-Lanosta-8,24-dien-3β-ol
Lanosta-8,24-dienol
Lanosterin
3β-Hydroxylanosta-8,24-diene
NSC 60677
3β-Hydroxy-lansota-8,24-dien-21-oic acid
Identifiers:
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:
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
Key Properties
Melting Point
140.5 °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 | 426.73 g/mol | CAS Common Chemistry |
| 426.7290000000002 g/mol | RDKit | |
| 426.38616621999995 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 |
| Molar Refractivity | 132.87980000000005 | RDKit |
