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Officinoic acid A

PubChem CID: 53355804

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Compound Synonyms Officinoic acid A, CHEBI:67720, Q27136193
Topological Polar Surface Area 63.6
Hydrogen Bond Donor Count 1.0
Inchi Key HPMCDJQPMNPVHR-VKAVYKQESA-N
Rotatable Bond Count 15.0
Heavy Atom Count 24.0
Compound Name Officinoic acid A
Exact Mass 340.261
Formal Charge 0.0
Monoisotopic Mass 340.261
Isotope Atom Count 0.0
Molecular Complexity 387.0
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 340.5
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name 3,7-dimethyl-8-[(Z)-3-methylnon-2-enoyl]oxyoctanoic acid
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Inchi InChI=1S/C20H36O4/c1-5-6-7-8-10-17(3)14-20(23)24-15-18(4)12-9-11-16(2)13-19(21)22/h14,16,18H,5-13,15H2,1-4H3,(H,21,22)/b17-14-
Smiles CCCCCC/C(=C\C(=O)OCC(C)CCCC(C)CC(=O)O)/C
Xlogp 6.7
Defined Bond Stereocenter Count 1.0
Molecular Formula C20H36O4