11,13-Dihydroxy-14-octadecaenoic acid

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Basic information

CAS: 131785-80-3
Standard SMILES: CCC/C=C/C(O)CC(O)CCCCCCCCCC(=O)O
InChIKey: QFBJNIFFNWRJFA-UHFFFAOYSA-N
Molecular formula: C18H34O4
Average molar mass: 314.5 g/mol
Monoisotopic mass: 314.24570956

Overview

digitalis-like cpd from bovine plasma; structure given in first source

Names & identifiers

Preferred name: 11,13-Dihydroxy-14-octadecaenoic acid
IUPAC: (E)-11,13-dihydroxyoctadec-14-enoic acid
English name: 11,13-dihydroxy-14-octadecaenoic acid
Molecular formula: C18H34O4
Molecular weight: 314.46

Names & synonyms

11,13-Dihydroxy-14-octadecaenoic acid131785-80-311,13-OH-14-OdaRefChem:77732(E)-11,13-dihydroxyoctadec-14-enoic acidSCHEMBL737566414-Octadecenoic acid, 11,13-dihydroxy-

Database identifiers

CAS: 131785-80-3
PubChem CID: 6444010

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 15
Heavy atoms: 22
Formal charge: 0
Complexity: 289

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Compound notes

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