Physapubenolide
[15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
Also Known As: Physapubenolide|[15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate|15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate|15a-Acetoxy-5b,6b-epoxy-4b,14b-dihydroxy-1-oxo-20S,22R-witha-2,24-dienolide|[22R,(+)]-15alpha-Acetyloxy-5,6beta-epoxy-4beta,14beta,22-trihydroxy-1-oxo-5beta-ergosta-2,24-diene-26-oic acid 26,22-lactone|15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0;{2,7}.0;{7,9}.0;{12,16}]octadec-4-en-13-yl acetate
| Molecular Formula | C30H40O8 |
|---|---|
| Molecular Weight | 528.27234 g/mol |
| LogP | 3.037 |
| Topological Polar Surface Area | 122.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 528.27234 |
| Monoisotopic Mass | 528.27234 |
| Heavy Atoms | 38 |
| Complexity | 1172.748 |
Chemical Identifiers
| CAS Number | 100217-92-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2CC(C3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)OC(=O)C)C |
Product Overview
Physapubenolide (CAS 100217-92-3), with molecular formula C30H40O8 and molecular weight 528.27234 g/mol. IUPAC: [15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate.
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