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Molecule
Campesterol
CAS: 474-62-4 · C28H48O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 474-62-4
- Molecular Formula
- C28H48O
- Molecular Mass
- 400.69 g/mol
Identifiers
CAS Registry Number
474-62-4
SMILES
CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key
SGNBVLSWZMBQTH-PODYLUTMSA-N
InChI
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
Names and Synonyms
- Campesterol Synonym
- Ergost-5-en-3-ol, (3β,24R)- Synonym
- Campesterol Synonym
- Ergost-5-en-3β-ol, (24R)- Synonym
- (3β,24R)-Ergost-5-en-3-ol Synonym
- Campesterin Synonym
- (24R)-24-Methylcholest-5-en-3β-ol Synonym
- 24α-Methylcholesterol Synonym
- (24R)-5-Ergosten-3β-ol Synonym
- 24α-Methyl-5-cholesten-3β-ol Synonym
- (24R)-Methylcholest-5-en-3β-ol Synonym
- Δ5-24-Isoergosten-3β-ol Synonym
- 24(R)-Methylcholesterol Synonym
- NSC 224330 Synonym
- Campasterol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 400.69 g/mol | CAS Common Chemistry |
| 400.69100000000026 g/mol | RDKit | |
| 400.691 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Campesterol | CAS Common Chemistry |
| Canonical SMILES | OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(C)C(C)C)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SGNBVLSWZMBQTH-PODYLUTMSA-N | CAS Common Chemistry |
| Melting Point | 157.5 °C | CAS Common Chemistry |
| Name | Campesterol | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 7.634700000000009 | RDKit |
| 7.6347 | RDKit | |
| Molar Refractivity | 123.59980000000009 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 400.370516156 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 400.69 g/mol. Edit any field — others recompute live.
