CAS 124649-26-9 | Cyclopentaneacetic acid, 2-[(2Z)-5-hydroxy-2-penten-1-yl]-3-oxo-, (1R,2S)- | CAS Number 124649-26-9

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124649-26-9 | Cyclopentaneacetic acid, 2-[(2Z)-5-hydroxy-2-penten-1-yl]-3-oxo-, (1R,2S)-

CAS No: 124649-26-9 Catalog No: AG000MJ0 MDL No:

Product Description

Catalog Number:

AG000MJ0

Chemical Name:

Cyclopentaneacetic acid, 2-[(2Z)-5-hydroxy-2-penten-1-yl]-3-oxo-, (1R,2S)-

CAS Number:

124649-26-9

Molecular Formula:

C12H18O4

Molecular Weight:

226.2689

IUPAC Name:

2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid

InChI:

InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10+/m1/s1

InChI Key:

RZGFUGXQKMEMOO-SZXTZRQCSA-N

SMILES:

OCC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)O

Properties

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.272g/mol

Monoisotopic Mass:

226.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Tobacco salicylic acid glucosyltransferase is active toward tuberonic acid (12-hydroxyjasmonic acid) and is induced by mechanical wounding stress.	Bioscience, biotechnology, and biochemistry 20110101
Stereoselective synthesis of epi-jasmonic acid, tuberonic acid, and 12-oxo-PDA.	Organic & biomolecular chemistry 20101121
Identification of a beta-glucosidase hydrolyzing tuberonic acid glucoside in rice (Oryza sativa L.).	Phytochemistry 20100801
Purification and cDNA cloning of a wound inducible glucosyltransferase active toward 12-hydroxy jasmonic acid.	Phytochemistry 20090201
Inhibition of stem elongation in spinach by theobroxide.	Journal of plant physiology 20060301
Effects of theobroxide, a natural product, on the level of endogenous jasmonoids.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20040101
Metabolism of deuterium-labeled jasmonic acid and OPC 8:0 in the potato plant (Solanum tuberosum L.).	Bioscience, biotechnology, and biochemistry 20030901