Austalide K
(1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione
Also Known As: Austalide K|2H-Benzo(a)furo(3,4-i)xanthene-3,11-dione, 1,4,4a,5,6,6a,9,13,13a,13b-decahydro-12-methoxy-4,4,6a,8,13b-pentamethyl-, (4aR,6aS,13aR,13bS)-|(1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo(11.8.0.03,11.05,9.014,19)henicosa-3(11),4,9-triene-8,17-dione|(1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione|(4aR,6aS,13aR,13bS)-1,4,4a,5,6,6a,9,13,13a,13b-Decahydro-12-methoxy-4,4,6a,8,13b-pentamethyl-2H-benzo(a)furo(3,4-i)xanthene-3,11-dione|(4aR,6aS,13aR,13bS)-12-methoxy-4,4,6a,8,13b-pentamethyl-1,4,4a,5,6,6a,9,13,13a,13b-decahydro-2H-benzo[a]furo[3,4-i]xanthene-3,11-dione|12-Methoxy-4,4,6a,8,13b-pentamethyl-1,4,4a,5,6,6a,9,13,13a,13b-decahydro-2H-benzo[a]furo[3,4-i]xanthene-3,11-dione
| Molecular Formula | C25H32O5 |
|---|---|
| Molecular Weight | 412.22498 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.22498 |
| Monoisotopic Mass | 412.22498 |
| Heavy Atoms | 30 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 87833-53-2 |
|---|---|
| SMILES | CC1=C2COC(=O)C2=C(C3=C1O[C@]4(CC[C@@H]5[C@@]([C@H]4C3)(CCC(=O)C5(C)C)C)C)OC |
| InChIKey | JCUWKPURUZEBFJ-MZXZQTHYSA-N |
Product Overview
Austalide K (CAS 87833-53-2), with molecular formula C25H32O5 and molecular weight 412.22498 g/mol. IUPAC: (1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione.
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