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| CAS No.: | 23522-05-6 |
|---|---|
| Name: | GARLICIN |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C15H20 O3 |
| Molecular Weight: | 248.322 |
| Synonyms: | Eudesm-4-en-12-oicacid, 6-hydroxy-1-oxo-, g-lactone (8CI); Naphtho[1,2-b]furan-2,6(3H,4H)-dione,3a,5,5a,7,8,9b-hexahydro-3,5a,9-trimethyl-, [3S-(3a,3aa,5ab,9bb)]-; Barrelierin; Dibicor; Gracilin; Taurin |
| Density: | 1.15g/cm3 |
| Boiling Point: | 411.1°Cat760mmHg |
| Flash Point: | 183.3°C |
| Hazard Symbols: | A reproductive hazard. |
| Safety: | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 43.37000 |
| LogP: | 2.64360 |
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- Total:3 Page 1 of 1 1
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Chemistry
Empirical Formula of Gracilin (CAS NO.23522-05-6): C15H20O3
Molecular Weight: 248.3175
Index of Refraction: 1.532
Density: 1.15 g/cm3
Flash Point: 183.3 °C
Enthalpy of Vaporization: 66.35 kJ/mol
Boiling Point: 411.1 °C at 760 mmHg
Vapour Pressure: 5.74E-07 mmHg at 25 °C
Structure of Gracilin (CAS NO.23522-05-6):
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XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name of Gracilin (CAS NO.23522-05-6): (3S,3aS,5aR,9bS)-3,5a,9-Trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
Canonical SMILES: CC1C2CCC3(C(=O)CCC(=C3C2OC1=O)C)C
Isomeric SMILES: C[C@H]1[C@@H]2CC[C@]3(C(=O)CCC(=C3[C@H]2OC1=O)C)C
InChI: InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-10,13H,4-7H2,1-3H3/t9-,10-,13-,15-/m0/s1
InChIKey: RSDQBPGKMDFRHH-MJVIGCOGSA-N
Safety Profile
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
Gracilin ,its cas register number is 23522-05-6. It also can be called Taurin ; Eudesm-4-en-12-oic acid, 6-hydroxy-1-oxo-, gamma-lactone and Barrelierin .