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11-Hydroxyjasmonic acid

CAT: 0931-TN2585-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2585-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140447-14-9
Target
Others
Related Pathways
Others
Bioactivity
11-Hydroxyjasmonic acid is a natural product of Stephania, Menispermaceae. The catalog number is TN2585 and the CAS number is 140447-14-9. 11-Hydroxyjasmonic acid can be used as a reference standard.
Smiles
C(C(O)=O)[C@@H]1[C@@H](C/C=C\[C@H](C)O)C(=O)CC1
Molecular Formula
C12H18O4
Molecular Weight
226.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

11-Hydroxyjasmonic acid

(11S)-(-)-Hydroxyjasmonic acid has been reported in Lasiodiplodia theobromae with data available.

CAS Number140447-14-9
PubChem CID15127090
IUPAC Name2-[(1R,2R)-2-[(Z,4S)-4-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
Molecular FormulaC12H18O4
Molecular Weight226.27
XLogP0.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity295
SMILES
C[C@@H](/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O)O
InChI
InChI=1S/C12H18O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h2-3,8-10,13H,4-7H2,1H3,(H,15,16)/b3-2-/t8-,9+,10+/m0/s1
InChIKey
KLPBEXRQJBKPDM-JQQSAOSDSA-N
Chemical Structure
2D Structure
2D structure of 11-Hydroxyjasmonic acid
CAS: 140447-14-9
CID: 15127090
Formula: C12H18O4
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass226.12050905
Monoisotopic Mass226.12050905
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity295
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

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