Showing Metabocard for oleanolic aldehyde (BASm0006811)
| Common Name | Oleanolic aldehyde |
|---|---|
| Description | Oleanolic aldehyde is found in common grape. Oleanolic aldehyde is found in grapes and olive |
| Structure | |
| Molecular Formula | C30H48O2 |
| Average Mass | 440.70090 |
| Monoisotopic Mass | 440.36543 |
| IUPAC Name | 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carbaldehyde |
| Traditional Name | 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carbaldehyde |
| CAS Registry Number | 17020-22-3 |
| SMILES | CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| InChI Identifier | InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3 |
| InChI Key | STHRNDDZYFUIDO-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:82827 |
| HMDB ID | HMDB0034511 |
| State | Not Available |
| Water Solubility | 1.33e-04 g/l |
| logP | 6.57 |
| logS | -6.52 |
| pKa (Strongest Acidic) | 19.49 |
| pKa (Strongest Basic) | -0.84 |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 37.3 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 132.70 m³·mol⁻¹ |
| Polarizability | 53.99 |