Showing Metabocard for ent-3beta-hydroxycassa-12,15-dien-2-one (BASm0009342)
| Common Name | Ent-3beta-hydroxycassa-12,15-dien-2-one |
|---|---|
| Description | A diterpenoid that is ent-cassa-12,15-diene carrying oxo and hydroxy substituents at positions 2 and 3beta respectively. |
| Structure | |
| Molecular Formula | C20H30O2 |
| Average Mass | 302.45200 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=CC1=CC[C@@H]2[C@H](CC[C@@H]3C(C)(C)[C@H](O)C(=O)C[C@@]23C)[C@@H]1C |
| InChI Identifier | InChI=1S/C20H30O2/c1-6-13-7-9-15-14(12(13)2)8-10-17-19(3,4)18(22)16(21)11-20(15,17)5/h6-7,12,14-15,17-18,22H,1,8-11H2,2-5H3/t12-,14-,15-,17-,18-,20+/m1/s1 |
| InChI Key | RKUSAVLJYNJIBF-NOZYNBGTSA-N |
| CHEBI ID | CHEBI:138970 |
| 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 |