Bipinnatin B
[5-acetyloxy-7,12-dimethyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate
Also Known As: Bipinnatin B|Bipinnatin-B|7,12-dimethyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-2,5-diyl diacetate|[5-acetyloxy-7,12-dimethyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate|1~4~,2~3~-Dimethyl-4~2~-oxo-7-(3-oxoprop-1-en-2-yl)-4~3~,4~6~-dioxa-1(2,5)-furana-2(2,3)-oxirana-4(4,1)-bicyclo[3.1.0]hexanacyclooctaphane-5,8-diyl diacetate|11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-4-carboxaldehyde, 2,5-bis(acetyloxy)-7,12-dimethyl-alpha-methylene-17-oxo-, (1S-(1R*,2R*,4S*,5S*,10R*,12S*,14R*,15R*))-|7,12-Dimethyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-diene-2,5-diyl diacetate
| Molecular Formula | C24H26O10 |
|---|---|
| Molecular Weight | 474.1526 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1526 |
| Monoisotopic Mass | 474.1526 |
| Heavy Atoms | 34 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 6340-05-2 |
|---|---|
| SMILES | CC1=C2C(C(CC(C34C(O3)C(CC5(C(O5)C(=C1)O2)C)OC4=O)OC(=O)C)C(=C)C=O)OC(=O)C |
| InChIKey | MEFFELURXRIWBN-UHFFFAOYSA-N |
Product Overview
Bipinnatin B (CAS 6340-05-2), with molecular formula C24H26O10 and molecular weight 474.1526 g/mol. IUPAC: [5-acetyloxy-7,12-dimethyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate.