| CAS Number | 76974-79-3 |
| Catalog Number | AG00GAPS(AGN-PC-0UASNA) |
| Chemical Name | rel-(3E,3aR,8bS)-3-[[[(2R)-2,5-Dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
| IUPAC Name | (3E,3aR,8bS)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one |
| InChI | InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1 |
| InChI Key | XHSDUVBUZOUAOQ-WJQMYRPNSA-N |
| MDL Number | MFCD12405021 |
| Molecular Formula | C17H14O5 |
| Molecular Weight | 298.2901 |
| SMILES | O=C(O[C@@]1([H])[C@]/2([H])CC3=C1C=CC=C3)C2=CO[C@@H](C=C4C)OC4=O |
| Synonyms | Strigolactone GR24,
76974-79-3,
(3e,3ar,8bs)-3-({[(2r)-4-Methyl-5-Oxo-2,5-Dihydrofuran-2-Yl]oxy}methylidene)-3,3a,4,8b-Tetrahydro-2h-Indeno[1,2-B]furan-2-One,
strigolactone,
CHEMBL2270922,
SCHEMBL13857705,
ZINC34499772,
AKOS030525324,
CX23880,
(+)-GR-24,
GR2,
Strigolactones,
NSC289946,
CID11358436,
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| Complexity | 576 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 298.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.294g/mol |
| Monoisotopic Mass | 298.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number