| Identification | Back Directory | [Name]
isochromophilone VI | [CAS]
167173-91-3 | [Synonyms]
Fo 3216iv
Fo-3216 vi
isochromophilone VI
Isochromophilone VI >=90% (LC/MS-ELSD)
6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-2-(2-hydroxyethyl)-7-methyl-, (7R)-
6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-2-(2-hydroxyethyl)-7-methyl-, (R-(R*,S*-(E,E)))-
6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-2-(2-hydroxyethyl)-7-methyl-, (7R)- | [Molecular Formula]
C23H28ClNO5 | [MDL Number]
MFCD24849300 | [MOL File]
167173-91-3.mol | [Molecular Weight]
433.93 |
| Chemical Properties | Back Directory | [Boiling point ]
543.5±50.0 °C(Predicted) | [density ]
1.24±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
solid | [pka]
14.46±0.10(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C23H28ClNO5/c1-6-14(2)11-15(3)7-8-17-12-18-19(13-25(17)9-10-26)21(28)23(5,30-16(4)27)22(29)20(18)24/h7-8,11-14,26H,6,9-10H2,1-5H3/b8-7+,15-11+/t14-,23+/m0/s1 | [InChIKey]
ZQLIAKJHIRHCFA-XIIQHIPDSA-N | [SMILES]
CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
|
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|