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Garjasmin

CAT: 0926-UFA86843-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-UFA86843-01Size:10 mg
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CAS Number
144868-43-9
MDL Number
MFCD20260802
Smiles
COC (=O) C1=COC2C3C1C=CC3 (CO2) O
Molecular Formula
C11H12O5
Molecular Weight
224.21 g/mol
Controlled
No

Chemical Information

Garjasmin

methyl (1S,4S,7S,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-5,8-diene-8-carboxylate has been reported in Viburnum cylindricum with data available.

CAS Number144868-43-9
PubChem CID11138761
IUPAC Namemethyl (1S,4S,7S,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undeca-5,8-diene-8-carboxylate
Molecular FormulaC11H12O5
Molecular Weight224.21
XLogP-0.2
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity399
SMILES
COC(=O)C1=CO[C@H]2[C@H]3[C@@H]1C=C[C@]3(CO2)O
InChI
InChI=1S/C11H12O5/c1-14-9(12)7-4-15-10-8-6(7)2-3-11(8,13)5-16-10/h2-4,6,8,10,13H,5H2,1H3/t6-,8-,10-,11-/m1/s1
InChIKey
PYJMOWDBOPKFBI-SSQAQTMGSA-N
Chemical Structure
2D Structure
2D structure of Garjasmin
CAS: 144868-43-9
CID: 11138761
Formula: C11H12O5
MW: 224.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.21
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass224.06847348
Monoisotopic Mass224.06847348
Topological Polar Surface Area65 Ų
Heavy Atom Count16
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5762445Garjasmin

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