14-hydroxyisolongifoldaldehyde
Showing entry for 14-hydroxyisolongifoldaldehyde
Identification
- PhytoHub ID
- PHUB000931
- Name
- 14-hydroxyisolongifoldaldehyde
- Synonyms
- (2S, 7S)-14-hydroxyisolongifoldaldehyde
- CAS Number
- Not Available
- Average Mass
- 236.355
- Monoisotopic Mass
- 236.177630013
- Chemical Formula
- C15H24O2
- IUPAC Name
- 3-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.0²,⁹]undecane-8-carbaldehyde
- InChI Key
- LKZRUFUJHRFLEY-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H24O2/c1-14(9-17)6-3-7-15(2)11-5-4-10(13(11)14)12(15)8-16/h8,10-13,17H,3-7,9H2,1-2H3
- SMILES
CC12CCCC(C)(CO)C3C(CCC13)C2C=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 6.44e-02 g/l
- LogS (ALOGPS)
- -3.57
- LogP (ALOGPS)
- 2.25
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 37.3
- Refractivity
- 67.38499999999999
- Polarizability
- 27.06566959172094
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.183753309235366
- pKa (strongest acidic)
- 18.6923778816723
External Links
- PubChem
- 134232
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Longifolene | Terpenoids | Sesquiterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Longifolene | Cheese | Milk and milk products | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Longifolene | 14-hydroxyisolongifoldaldehyde | rabbit | urine (major) | C15H24O2 | 236.177630013 | Publications |
14-hydroxyisolongifoldaldehyde