Dihydrophaseic acid

Base Information

• Chemical Name: Dihydrophaseic acid
• CAS No.: 41756-77-8
• Molecular Formula: C15H22O5
• Molecular Weight: 282.33
• ChEMBL ID: CHEMBL3594246
• DSSTox Substance ID: DTXSID301315742
• Metabolomics Workbench ID: 28231
• Wikidata: Q27109812
• Mol file: 41756-77-8.mol

Synonyms:dihydrophaseic acid;41756-77-8;(-)-Dihydrophaseic acid;(2Z,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid;(2Z,4E)-3-Methyl-5-[(1S)-1alpha-hydroxy-2,6-dimethyl-2alpha,6alpha-(epoxymethano)-4beta-hydroxycyclohexane-1-yl]-2,4-pentadienoic acid;Dihydrophaseicacid;(2Z,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid;isomer of dihydrophaseic acid;SCHEMBL9990748;CHEMBL3594246;CHEBI:23757;DTXSID301315742;AKOS040760049;LMPR0103050005;Q27109812;5-(3,8-Dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoic acid, 9CI

Chemical Property of Dihydrophaseic acid

Chemical Property:

• Boiling Point: 497.0±45.0 °C(Predicted)
• PKA: 4.96±0.33(Predicted)
• PSA: 86.99000
• Density: 1.348±0.06 g/cm3(Predicted)
• LogP: 1.25450
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 282.14672380
• Heavy Atom Count: 20
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Dihydrophaseicacid ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)O)C=CC1(C2(CC(CC1(OC2)C)O)C)O
• Isomeric SMILES: C/C(=C/C(=O)O)/C=C/[C@@]1([C@@]2(C[C@@H](C[C@]1(OC2)C)O)C)O
• Uses: Dihydrophaseic?Acid?(DPA) is a metabolite of Phaseic Acid (P294660) and a derivative of ascorbic acid. Phaseic Acid is a pivotal metabolite of Abscisic acid. Phaseic Acid is a multifunctional plant hormone, playing roles in germination, seasonal growth patterns, and stress responses.