-
Name
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-(3a R*,4S*(Z),5S*,6E,9S*,10Z,11aS*))-
- EINECS
- CAS No. 84886-38-4
- Density 1.21g/cm3
- Solubility
- Melting Point
- Formula C20H26 O6
- Boiling Point 568.3°C at 760 mmHg
- Molecular Weight 362.46
- Flash Point 199.1°C
- Transport Information
- Appearance
- Safety Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
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
- PSA 93.06000
- LogP 1.98030
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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