Bavacoumestan A
6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one
Also Known As: Bavacoumestan A|6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one|6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo(11.8.0.02,11.04,9.014,19)henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one
| Molecular Formula | C20H16O6 |
|---|---|
| Molecular Weight | 352.0947 g/mol |
| LogP | 3.4724 |
| Topological Polar Surface Area | 93.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.0947 |
| Monoisotopic Mass | 352.0947 |
| Heavy Atoms | 26 |
| Complexity | 1260.4927 |
Chemical Identifiers
| CAS Number | 129385-63-3 |
|---|---|
| SMILES | CC1(C(CC2=CC3=C(C=C2O1)OC4=C3C(=O)OC5=C4C=CC(=C5)O)O)C |
Product Overview
Bavacoumestan A (CAS 129385-63-3), with molecular formula C20H16O6 and molecular weight 352.0947 g/mol. IUPAC: 6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one.
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