Showing Metabocard for orobanchol ABC-rings (BASm0012576)
| Common Name | Orobanchol abc-rings |
|---|---|
| Description | An indenofuran that is (3aS,8bR)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan substituted by oxo, hydroxymethylidene, hydroxy, methyl, and methyl groups at positions 2, 3, 4, 8, and 8, respectively. |
| Structure | |
| Molecular Formula | C14H18O4 |
| Average Mass | 250.29400 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1(C)CCCC2=C1[C@@H]1OC(=O)/C(=C/O)[C@@H]1[C@H]2O |
| InChI Identifier | InChI=1S/C14H18O4/c1-14(2)5-3-4-7-10(14)12-9(11(7)16)8(6-15)13(17)18-12/h6,9,11-12,15-16H,3-5H2,1-2H3/b8-6+/t9-,11+,12-/m1/s1 |
| InChI Key | RRADQMRHCHUZBZ-BTRAOZKXSA-N |
| CHEBI ID | CHEBI:195257 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Polarizability | Not Available |