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CHEBI:208664 - Penitalarin B

Default Structure
ChEBI IDCHEBI:208664
ChEBI NamePenitalarin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILESCOC(=O)[C@@H]1O[C@@H](/C=C/C=C/[C@H](C)C/C(C)=C/C=C/[C@@H](C)CCO)[C@@]2(C)O[C@@H]12
InChIInChI=1S/C23H34O5/c1-16(13-14-24)10-8-11-18(3)15-17(2)9-6-7-12-19-23(4)21(28-23)20(27-19)22(25)26-5/h6-12,16-17,19-21,24H,13-15H2,1-5H3/b9-6+,10-8+,12-7+,18-11+/t16-,17+,19+,20-,21+,23-/m1/s1
InChIKeySAKGBVJMAACEPL-ZAECHEIGSA-N
ChEBI Ontology
Outgoing Relation(s)
Penitalarin B (CHEBI:208664) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
methyl (1S,2R,4S,5R)-4-[(1E,3E,5R,7E,9E,11S)-13-hydroxy-5,7,11-trimethyltrideca-1,3,7,9-tetraenyl]-5-methyl-3,6-dioxabicyclo[3.1.0]hexane-2-carboxylate
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63002539ChemSpider