Uvaol
precursor
Showing entry for Uvaol
Identification
- PhytoHub ID
- PHUB000194
- Name
- Uvaol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 442.728
- Monoisotopic Mass
- 442.38108085
- Chemical Formula
- C30H50O2
- IUPAC Name
- (3S,6aR,6bS,8aS,11R,12S,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
- InChI Key
- XUARCIYIVXVTAE-CXNZXGKSSA-N
- InChI Identifier
InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25?,27+,28-,29-,30-/m1/s1
- SMILES
C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.72e-04 g/l
- LogS (ALOGPS)
- -6.21
- LogP (ALOGPS)
- 6.13
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 40.46
- Refractivity
- 133.75549999999998
- Polarizability
- 54.580566583818246
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.6357052290198816
- pKa (strongest acidic)
- 18.953297110466607
External Links
- ChEBI
- 67894
- PubChem
- 92802
- MetaboLights
- MTBLC67894
Taxonomy
- Family
- Terpenoids
- Class
- Triterpenoids
- Sub-class
- Miscellaneous triterpenoids
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Common oregano | Herbs and Spices | Publications | Show | |
| Olive oil | Fats and oils | Publications | Show | |
| White sage (Salvia apiana) | Herbs and Spices | Publications | Show |
Metabolism
No metabolism information available
Uvaol