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Rosin

CAT: 0013-GTR19157095-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157095-02Size:200 mg
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Description
Rosin is a natural productmay have therapeutic potential for the treatment of inflammation.
CAS Number
85026-55-7
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (337.47 mM)
Smiles
C1=CC=C (C=C1) /C=C/CO[C@H]2[C@@H] ([C@H] ([C@@H] ([C@H] (O2) CO) O) O) O
Molecular Formula
C15H20O6?
Molecular Weight
296.31
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol

rosin X has been reported in Rhodiola crenulata, Rhodiola sachalinensis, and other organisms with data available.

CAS Number85026-55-7
PubChem CID5280656
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
Molecular FormulaC15H20O6
Molecular Weight296.31
XLogP-0.1
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity328
SMILES
C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1
InChIKey
KHPCPRHQVVSZAH-GUNCLKARSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
CAS: 85026-55-7
CID: 5280656
Formula: C15H20O6
MW: 296.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.31
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass296.12598835
Monoisotopic Mass296.12598835
Topological Polar Surface Area99.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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