Campestanol
precursor
Showing entry for Campestanol
Identification
- PhytoHub ID
- PHUB000471
- Name
- Campestanol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 402.707
- Monoisotopic Mass
- 402.38616623
- Chemical Formula
- C28H50O
- IUPAC Name
- (7S,9aS,11aR)-1-[(2R,5R)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
- InChI Key
- ARYTXMNEANMLMU-MATPTPAVSA-N
- InChI Identifier
InChI=1S/C28H50O/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/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22+,23?,24?,25?,26?,27+,28-/m1/s1
- SMILES
CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
- Structure
Structure for Campestanol
Calculated Properties
- Solubility (ALOGPS)
- 1.31e-05 g/l
- LogS (ALOGPS)
- -7.49
- LogP (ALOGPS)
- 6.86
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 5
- Polar Surface Area
- 20.23
- Refractivity
- 124.31509999999996
- Polarizability
- 52.68804559458494
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.3569562491413656
- pKa (strongest acidic)
- 18.296396321121705
- 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
| Name | Group | |||
|---|---|---|---|---|
| Almond | Nuts | Publications | Show | |
| Brazil nut | Nuts | Publications | Show | |
| Broccoli | Vegetables, Cabbages | Publications | Show | |
| Cashew nut | Nuts | Publications | Show | |
| Chocolate | Cocoa and cocoa products | Publications | Show | |
| Common hazelnut | Nuts | Publications | Show | |
| Common mushroom | Mushrooms | Publications | Show | |
| Common walnut | Nuts | Publications | Show | |
| Common wheat | Cereals and cereal products | Publications | Show | |
| Flaxseed | Oilseed crops | Publications | Show | |
| Kale | Vegetables, Cabbages | Publications | Show | |
| Leek | Vegetables, Onion-family | Publications | Show | |
| Macadamia nut | Nuts | Publications | Show | |
| Peanut | Nuts | Publications | Show | |
| Pecan nut | Nuts | Publications | Show | |
| Pine nut | Nuts | Publications | Show | |
| Pistachio | Nuts | Publications | Show | |
| Poppy | Oilseed crops | Publications | Show | |
| Sesame | Oilseed crops | Publications | Show | |
| Sunflower | Oilseed crops | Publications | Show | |
| Tomato | Vegetables, Fruit vegetables | Publications | Show |
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