Showing Metabocard for (21S)-21-acetyl-1-hydroxy-apo-melianone (BASm0013067)
| Common Name | (21s)-21-acetyl-1-hydroxy-apo-melianone |
|---|---|
| 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 | 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(O)[C@]4(C)[C@H]3CC[C@]21C |
| InChI Identifier | InChI=1S/C32H48O7/c1-16(33)37-27-17(13-19(38-27)26-29(4,5)39-26)18-9-10-20-30(18,6)12-11-21-31(20,7)24(35)14-22-28(2,3)23(34)15-25(36)32(21,22)8/h10,17-19,21-22,24-27,35-36H,9,11-15H2,1-8H3/t17-,18-,19+,21-,22-,24+,25?,26-,27+,30-,31-,32+/m0/s1 |
| InChI Key | KDBMZUSEVIPVDJ-IOFXMLJZSA-N |
| CHEBI ID | CHEBI:231465 |
| 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 |