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Tuberonic acid glucoside

CAT: 0013-GTR19227831-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227831-01Size:1 mg
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Description
Tuberonic acid glucoside (CAS 124649-25-8) is a research chemical used in life science studies. It serves as a valuable tool in plant science research, particularly for investigating jasmonate-related signaling pathways in both in vitro and in vivo experimental models.
CAS Number
124649-25-8
Smiles
OCC1OC (OCC\C=C/C[C@@H]2[C@@H] (CC (O) =O) CCC2=O) C (O) C (O) C1O
Molecular Formula
C18H28O9
Molecular Weight
388.413
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(1R,2R)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

2-[(1R,2R)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid is an O-acyl carbohydrate.

CAS Number124649-25-8
PubChem CID24066896
IUPAC Name2-[(1R,2R)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
Molecular FormulaC18H28O9
Molecular Weight388.4
XLogP-1.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity535
SMILES
C1CC(=O)[C@@H]([C@H]1CC(=O)O)C/C=C\CCOC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13?,15?,16?,17?,18?/m1/s1
InChIKey
JFDNMLUPLXZXGV-YAYCWVCRSA-N
Chemical Structure
2D Structure
2D structure of 2-[(1R,2R)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
CAS: 124649-25-8
CID: 24066896
Formula: C18H28O9
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP3-1.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass388.17333247
Monoisotopic Mass388.17333247
Topological Polar Surface Area154 Ų
Heavy Atom Count27
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes