Delta notation: 14,15-O-20:1-delta-11c
Other Names: 11-Tridecenoic acid, 13-(3-pentyloxiranyl)-, [2S-[2-alpha-(Z),3-alpha-]]-; Alchornoic acid
Formula: C20 H36 O3
Mass: 324.5
IUPAC name: (Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]tridec-11-enoic acid
Structure drawn at OPSIN (opsin.ch.cam.uk)
External Database IDs:
CAS registry:
64019-95-0
SOFA Mol:
M_184
Lipid Maps:
LMFA01070021
PubChem:
44256507
ChEBI:
inchi: InChI=1/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1/f/h21H
stdinchi: InChI=1S/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1
stdinchikey: IQTLUAOJSNPZIR-QOLSVTOYSA-N
smiles: C(CCCC)[C@@H]1[C@@H](O1)C\C=C/CCCCCCCCCC(=O)O