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2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutyrate · CAS 24394-09-0 · C20H26O7. UNII C998MWY30L.
| CAS Registry Number | 24394-09-0 |
|---|---|
| PubChem CID | 5281435 |
| Molecular formula | C20H26O7 |
| IUPAC name | [(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate |
| UNII (FDA) | C998MWY30L |
| Molecular Weight | 378.4 |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 378.16785316 |
| Monoisotopic Mass | 378.16785316 |
| Topological Polar Surface Area | 113 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Reported hazard statements | H302 (50%), H315 (75%), H319 (75%), H335 (75%) |
|---|
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
Cnicin; Centaurin; 24394-09-0; Cnicine; Cynisin; C998MWY30L; DTXSID90878518; RefChem:127181; DTXCID701016564; 246-221-8; CHEBI:3768; UNII-C998MWY30L; EINECS 246-221-8; C09362; CNICIN [MI]; orb1684687
CAS 24394-09-0; molecular formula C20H26O7; molecular weight — g/mol.
Cnicin, Centaurin, 24394-09-0, Cnicine, Cynisin, C998MWY30L.
Hazard statements reported: H302, H315, H319, H335.
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.