| Identification | Back Directory | [Name]
Thunberginol H | [CAS]
64847-01-4 | [Synonyms]
Thunberginol H
d-3,4-dihydro-3-(3,4-dimethoxyphenyl)-8-hydroxyisocoumarin
1H-2-Benzopyran-1-one, 3-(3,4-dimethoxyphenyl)-3,4-dihydro-8-hydroxy-, (R)- (9CI) | [Molecular Formula]
C17H16O5 | [MDL Number]
MFCD24849360 | [MOL File]
64847-01-4.mol | [Molecular Weight]
300.31 |
| Chemical Properties | Back Directory | [Melting point ]
102-103 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7)) | [Boiling point ]
506.2±50.0 °C(Predicted) | [density ]
1.281±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
solid | [pka]
9.77±0.40(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C17H16O5/c1-20-13-7-6-10(8-15(13)21-2)14-9-11-4-3-5-12(18)16(11)17(19)22-14/h3-8,14,18H,9H2,1-2H3/t14-/m1/s1 | [InChIKey]
WKNXOKHAEDTQCX-CQSZACIVSA-N | [SMILES]
COc1ccc(cc1OC)[C@H]2Cc3cccc(O)c3C(=O)O2 |
| Safety Data | Back Directory | [Hazard Codes ]
N | [Risk Statements ]
50 | [Safety Statements ]
61 | [RIDADR ]
UN 3077 9 / PGIII | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1 |
|
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|