Showing Metabocard for 7-acetyl-epi-neemfruitin B (BASm0013069)
| Common Name | 7-acetyl-epi-neemfruitin b |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C34H48O7 |
| Average Mass | 568.75100 |
| Monoisotopic Mass | 568.34000 |
| 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](CC[C@]21C)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O |
| InChI Identifier | InChI=1S/C34H48O7/c1-18(35)38-27-17-25-30(3,4)26(37)13-15-33(25,8)24-12-14-32(7)21(10-11-23(32)34(24,27)9)20-16-22(28-31(5,6)41-28)40-29(20)39-19(2)36/h11,13,15,20-22,24-25,27-29H,10,12,14,16-17H2,1-9H3 |
| InChI Key | ZTCBOAIWPIKLEJ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:231469 |
| 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 |