Showing Metabocard for isomeliandiol (BASm0013055)
| Common Name | Isomeliandiol |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | Not Available |
| Average Mass | Not Available |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC=C3[C@]4(C)[C@H](O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)C(O)O1 |
| InChI Identifier | InChI=1S/C30H48O5/c1-26(2)21-15-23(32)30(7)19-9-8-17(16-14-18(34-25(16)33)24-27(3,4)35-24)28(19,5)12-10-20(30)29(21,6)13-11-22(26)31/h9,16-18,20-25,31-33H,8,10-15H2,1-7H3/t16-,17-,18+,20+,21-,22-,23+,24-,25?,28-,29+,30-/m0/s1 |
| InChI Key | BBEYJDHSMDJTPB-PNMIRTDWSA-N |
| CHEBI ID | CHEBI:231453 |
| 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 | Not Available |
| Polarizability | Not Available |