Showing Metabocard for (21S)-21-acetoxyl-apo-melianone (BASm0013058)
| Common Name | (21s)-21-acetoxyl-apo-melianone |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C32H48O6 |
| Average Mass | 528.73000 |
| Monoisotopic Mass | 528.34509 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C |
| InChI Identifier | InChI=1S/C32H48O6/c1-17(33)36-27-18(15-20(37-27)26-29(4,5)38-26)19-9-10-21-30(19,6)13-11-22-31(7)14-12-24(34)28(2,3)23(31)16-25(35)32(21,22)8/h10,18-20,22-23,25-27,35H,9,11-16H2,1-8H3 |
| InChI Key | JJYFVZGESRUJQK-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:231456 |
| 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 |