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5-[2-(3-furyl)ethyl]decahydro-5-hydroxy-1,4a,6-trimethyl-1,8-naphthalenecarbolactone · CAS 465-92-9 · C20H28O4. UNII AP086P88M4.
| CAS Registry Number | 465-92-9 |
|---|---|
| PubChem CID | 73401 |
| Molecular formula | C20H28O4 |
| IUPAC name | (1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one |
| UNII (FDA) | AP086P88M4 |
| Molecular Weight | 332.4 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 332.19875937 |
| Monoisotopic Mass | 332.19875937 |
| Topological Polar Surface Area | 59.7 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Marrubiin; 465-92-9; DTXSID50963595; AP086P88M4; NSC-36693; RefChem:810635; DTXCID501764789; MFCD08461003; MARRUBIN; NSC36693; MLS000738128; UNII-AP086P88M4; Marrubiin CRS; NSC 36693; Marrubiin (Standard); MARRUBIIN [MI]
CAS 465-92-9; molecular formula C20H28O4; molecular weight — g/mol.
Marrubiin, 465-92-9, DTXSID50963595, AP086P88M4, NSC-36693, RefChem:810635.
Hazard statements reported: H302.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.