Campesterol
precursor
Showing entry for Campesterol
Identification
- PhytoHub ID
- PHUB000472
- Name
- Campesterol
- Systematic Name
- Not Available
- Synonyms
- (24R)ergost-5-en-3β-ol
- campest-5-en-3β-ol
- Campesterin
- CAS Number
- 474-62-4
- Average Mass
- 400.691
- Monoisotopic Mass
- 400.370516166
- Chemical Formula
- C28H48O
- IUPAC Name
- (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
- InChI Key
- SGNBVLSWZMBQTH-PODYLUTMSA-N
- InChI Identifier
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
- SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C
- Structure
Structure for Campesterol
Calculated Properties
- Solubility (ALOGPS)
- 2.19e-05 g/l
- LogS (ALOGPS)
- -7.26
- LogP (ALOGPS)
- 6.81
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 5
- Polar Surface Area
- 20.23
- Refractivity
- 125.16509999999997
- Polarizability
- 52.25560278368588
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.397243770292629
- pKa (strongest acidic)
- 18.20428950550382
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Phytosterols
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available