Showing Metabocard for 5alpha,6beta,17alpha,27-tetrahydroxywithanolide (BASm0012262)
| Common Name | 5alpha,6beta,17alpha,27-tetrahydroxywithanolide |
|---|---|
| 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(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 |
| InChI Identifier | InChI=1S/C28H40O7/c1-15-12-21(35-24(32)18(15)14-29)16(2)27(33)11-8-19-17-13-23(31)28(34)9-5-6-22(30)26(28,4)20(17)7-10-25(19,27)3/h5-6,16-17,19-21,23,29,31,33-34H,7-14H2,1-4H3/t16-,17+,19+,20+,21-,23-,25+,26+,27+,28+/m1/s1 |
| InChI Key | DDFLYRZLCDGOEF-GOASYUQISA-N |
| CHEBI ID | CHEBI:193035 |
| 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 |