| Identification | Back Directory | [Name]
cannabielsoin | [CAS]
52025-76-0 | [Synonyms]
cannabielsoin
Cannabielsoin A
Cannabielsoin I
(5aS,6S,9R)-5aβ,6,7,8,9,9aβ-Hexahydro-6α-methyl-9β-(1-methylethenyl)-3-pentyl-1,6-dibenzofurandiol
1,6-Dibenzofurandiol, 5a,6,7,8,9,9a-hexahydro-6-methyl-9-(1-methylethenyl)-3-pentyl-, (5aS,6S,9R,9aR)- | [Molecular Formula]
C21H30O3 | [MOL File]
52025-76-0.mol | [Molecular Weight]
330.46 |
| Chemical Properties | Back Directory | [Boiling point ]
426.5±45.0 °C(Predicted) | [density ]
1.089±0.06 g/cm3(Predicted) | [storage temp. ]
-10 to -25°C | [solubility ]
DMF: 50 mg/ml; DMSO: 60 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg; Ethanol: 35 mg/ml | [pka]
9.78±0.60(Predicted) | [InChI]
1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1 | [InChIKey]
RBEAVAMWZAJWOI-MTOHEIAKSA-N | [SMILES]
O1[C@H]2[C@H]([C@@H](CC[C@@]2(O)C)C(=C)C)c3c1cc(cc3O)CCCCC |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Danger | [WGK Germany ]
WGK 2 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1 |
| Hazard Information | Back Directory | [Description]
Cannabielsoin (CRM) (Item No. 36661) is a certified reference material categorized as a phytocannabinoid metabolite.1,2 Cannabielsoin is a metabolite of cannabidiol (CBD; Item Nos. ISO60156 | 90080). This product is intended for research and forensic applications.WARNING This product is not for human or veterinary use. | [Description]
Cannabielsoin (Item No. 21092) is an analytical reference standard categorized as a phytocannabinoid metabolite.1,2 Cannabielsoin is a metabolite of cannabidiol (CBD; Item Nos. ISO60156 | 90080). This product is intended for research and forensic applications.WARNING This product is not for human or veterinary use. |
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| 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 |
|