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CHEBI:208669 - Penitalarin C

Default Structure
ChEBI IDCHEBI:208669
ChEBI NamePenitalarin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILESCC[C@@H](/C=C/C=C(\C)C[C@@H](C)/C=C/C=C/[C@@H]1O[C@@H](C(=O)OC)[C@@H]2O[C@]12C)CO
InChIInChI=1S/C23H34O5/c1-6-18(15-24)12-9-11-17(3)14-16(2)10-7-8-13-19-23(4)21(28-23)20(27-19)22(25)26-5/h7-13,16,18-21,24H,6,14-15H2,1-5H3/b10-7+,12-9+,13-8+,17-11+/t16-,18-,19-,20+,21-,23+/m0/s1
InChIKeyPICZSRRDNJXWDK-ROMYUACXSA-N
ChEBI Ontology
Outgoing Relation(s)
Penitalarin C (CHEBI:208669) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
methyl (1S,2R,4S,5R)-4-[(1E,3E,5R,7E,9E,11S)-11-(hydroxymethyl)-5,7-dimethyltrideca-1,3,7,9-tetraenyl]-5-methyl-3,6-dioxabicyclo[3.1.0]hexane-2-carboxylate
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63002540ChemSpider