Showing Metabocard for isomultiflorenol (BASm0004261)
| Common Name | Isomultiflorenol |
|---|---|
| Description | Isomultiflorenol is found in fruits. Isomultiflorenol is a constituent of Cucumis species. |
| Structure | |
| Molecular Formula | C30H50O |
| Average Mass | 426.71740 |
| Monoisotopic Mass | 426.38617 |
| IUPAC Name | 4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-ol |
| Traditional Name | 4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-ol |
| CAS Registry Number | 24462-48-4 |
| SMILES | CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4 |
| InChI Identifier | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3 |
| InChI Key | MCSMMGJCXCBSKD-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:62262 |
| HMDB ID | HMDB0036758 |
| State | Solid |
| Water Solubility | 3.30e-04 g/l |
| logP | 7.13 |
| logS | -6.11 |
| pKa (Strongest Acidic) | 19.55 |
| pKa (Strongest Basic) | -0.81 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 20.23 Ų |
| Rotatable Bond Count | 0 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 131.64 m³·mol⁻¹ |
| Polarizability | 54.19 |