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| Name |
ZOAPATANOLIDE A |
EINECS | N/A |
| CAS No. | 84886-38-4 | Density | 1.21g/cm3 |
| PSA | 93.06000 | LogP | 1.98030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H26 O6 | Boiling Point | 568.3°C at 760 mmHg |
| Molecular Weight | 362.46 | Flash Point | 199.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A reproductive hazard. |
| Synonyms |
2-Butenoicacid, 2-methyl-,2,3,3a,4,5,8,9,11a-octahydro-5,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-ylester, [3aS-[3aR*,4S*(Z),5S*,6E,9S*,10Z,11aS*]]-; Cyclodeca[b]furan, 2-butenoicacid deriv.; Zoapatanolide A |
ZOAPATANOLIDE A Chemical Properties
Empirical Formula of Zoapatanolide A (CAS NO.84886-38-4): C20H26O6
Molecular Weight: 362.4168 g/mol
Index of Refraction: 1.555
Density: 1.21 g/cm3
Flash Point: 199.1 °C
Enthalpy of Vaporization: 97.97 kJ/mol
Boiling Point: 568.3 °C at 760 mmHg
Vapour Pressure: 2.8E-15 mmHg at 25 °C
Structure of Zoapatanolide A (CAS NO.84886-38-4):
IUPAC Name: [(3aS,6Z,10Z)-5,9-Dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
Canonical SMILES: CC=C(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)O)C)OC(=O)C2=C
Isomeric SMILES: C/C=C(\C)/C(=O)OC1[C@@H]2C(/C=C(\C(C/C=C(\C1O)/C)O)/C)OC(=O)C2=C
InChI: InChI=1S/C20H26O6/c1-6-10(2)19(23)26-18-16-13(5)20(24)25-15(16)9-12(4)14(21)8-7-11(3)17(18)22/h6-7,9,14-18,21-22H,5,8H2,1-4H3/b10-6+,11-7-,12-9-/t14?,15?,16-,17?,18?/m0/s1
InChIKey: BXFQVBKJGJTIAT-CGSFVSGYSA-N
ZOAPATANOLIDE A Safety Profile
Experimental reproductive effects. When heated to decomposition Zoapatanolide A (CAS NO.84886-38-4) emits acrid smoke and irritating vapors.
ZOAPATANOLIDE A Specification
Zoapatanolide A , its cas register number is 84886-38-4. It also can be called Triphenylstannyl benzoate ; and 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,8,9,11a-octahydro-5,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4S*(Z),5S*,6E,9S*,10Z,11aS*))- .
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