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CAS No.: | 82508-32-5 |
---|---|
Name: | NSC615487 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C22H28O6 |
Molecular Weight: | 388.461 |
Synonyms: | PseudolaricAcid?A; |
Density: | 1.23g/cm3 |
Melting Point: | 206-207℃ |
Boiling Point: | 571.5°Cat760mmHg |
Flash Point: | 196.6°C |
Safety: | Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. |
PSA: | 89.90000 |
LogP: | 3.71750 |
Empirical Formula of Pseudolaric acid A (CAS NO.82508-32-5): C22H28O6
Molecular Weight: 388.4541 g/mol
Index of Refraction: 1.563
Density: 1.23 g/cm3
Flash Point: 196.6 °C
Enthalpy of Vaporization: 93.64 kJ/mol
Boiling Point: 571.5 °C at 760 mmHg
Vapour Pressure: 1.5E-14 mmHg at 25 °C
Structure of Pseudolaric acid A (CAS NO.82508-32-5):
Canonical SMILES: CC1=CCC23CCC(C2(CC1)OC(=O)C)C(OC3=O)(C)C=CC=C(C)C(=O)O
Isomeric SMILES: CC1=CC[C@]23CC[C@H]([C@]2(CC1)OC(=O)C)[C@@](OC3=O)(C)/C=C/C=C(\C)/C(=O)O
InChI: InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1
InChIKey: GOHMRMDXUXWCDQ-MPVZDDSSSA-N
1. | orl-rat LD50:219 mg/kg | CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. 9 (1988),445. | ||
2. | ipr-mus LD50:397 mg/kg | CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. 9 (1988),445. | ||
3. | ivn-mus TDLo:486 mg/kg | CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. 9 (1988),445. |
Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition Pseudolaric acid A (CAS NO.82508-32-5) emits acrid smoke and irritating fumes.
Pseudolaric acid A , its cas register number is 82508-32-5. It also can be called 2,4-Pentadienoic acid, 5-(4a-(acetyloxyl)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta(c)pyran-3-yl)-2-methyl-, (3-alpha(2E,4E),4-alpha,9a-alpha)-(-)- (9CI) .