Spirocardin A
4-[(4,5-dihydroxy-1,6-dioxaspiro[2.4]heptan-7-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one
Also Known As: Spirocardin A|1(2H)-Naphthalenone, 3,4,4a,5,6,8a-hexahydro-4-((6,7-dihydroxy-1,5-dioxaspiro(2.4)hept-4-yl)methyl)-2-hydroxy-3,4,8,8a-tetramethyl-|1(2H)-Naphthalenone, 4-((6,7-dihydroxy-1,5-dioxaspiro(2.4)hept-4-yl)methyl)-3,4,4a,5,6,8a-hexahydro-2-hydroxy-3,4,8,8a-tetramethyl-|4-[(4,5-dihydroxy-1,6-dioxaspiro[2.4]heptan-7-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one|4-[(6,7-dihydroxy-1,5-dioxaspiro[2.4]hept-4-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4,4a,5,6,8a-hexahydronaphthalen-1(2h)-one|4-((4,5-dihydroxy-1,6-dioxaspiro(2.4)heptan-7-yl)methyl)-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one|4-[(6,7-Dihydroxy-1,5-dioxaspiro[2.4]heptan-4-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4,4a,5,6,8a-hexahydronaphthalen-1(2H)-one|4-[(6,7-dihydroxy-2,5-dioxaspiro[2.4]heptan-4-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20422 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.20422 |
| Monoisotopic Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 6325-11-7 |
|---|---|
| SMILES | CC1C(C(=O)C2(C(C1(C)CC3C4(CO4)C(C(O3)O)O)CCC=C2C)C)O |
| InChIKey | BHDYBYAEPPUJEJ-UHFFFAOYSA-N |
Product Overview
Spirocardin A (CAS 6325-11-7), with molecular formula C20H30O6 and molecular weight 366.20422 g/mol. IUPAC: 4-[(4,5-dihydroxy-1,6-dioxaspiro[2.4]heptan-7-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one.