LOBATIN B
(10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 3-methylbutanoate
Also Known As: LOBATIN B|[(2Z,4R,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 3-methylbutanoate
CAS: 84754-02-9
| Molecular Formula | C20H24O7 |
|---|---|
| Molecular Weight | 376.1522 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1522 |
| Monoisotopic Mass | 376.1522 |
| Heavy Atoms | 27 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 84754-02-9 |
|---|---|
| SMILES | CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 |
| InChIKey | JXMKTEYFXIBRKC-UHFFFAOYSA-N |
Product Overview
LOBATIN B (CAS 84754-02-9), with molecular formula C20H24O7 and molecular weight 376.1522 g/mol. IUPAC: (10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 3-methylbutanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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