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Strigolactone GR24

CAT: 0926-FG167307-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FG167307-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76974-79-3
Synonyms
Rac-GR24
Smiles
CC1=C[C@@H] (OC1=O) O/C=C/2\[C@H]3CC4=CC=CC=C4[C@H]3OC2=O
Molecular Formula
C17H14O5
Molecular Weight
298.29 g/mol
Controlled
No

Chemical Information

(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

(+)-GR24 is a (3E)-3-{[(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy]methylidene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one that has (3E,3aR,8bS) configuration in the indenofuranone moiety and R at the chiral centre in the furanone ring. It is a synthetic strigolactone and a (3E)-3-{[(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy]methylidene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one. It is an enantiomer of a (-)-GR24.

CAS Number76974-79-3
PubChem CID11358436
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
Molecular FormulaC17H14O5
Molecular Weight298.29
XLogP2.2
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity576
SMILES
CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3CC4=CC=CC=C4[C@H]3OC2=O
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
InChIKey
XHSDUVBUZOUAOQ-WJQMYRPNSA-N
Chemical Structure
2D Structure
2D structure of (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
CAS: 76974-79-3
CID: 11358436
Formula: C17H14O5
MW: 298.29
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight298.29
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass298.08412354
Monoisotopic Mass298.08412354
Topological Polar Surface Area61.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes