CHEBI:228325 - Euphorbia factor I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Euphorbia factor I
ChEBI ID CHEBI:228325
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H58O6
Net Charge 0
Average Mass 586.854
Monoisotopic Mass 586.42334
InChI InChI=1S/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(37)42-23-26-21-27-30-28(34(30,4)5)20-25(3)35(33(27)40)22-24(2)31(38)36(35,41)32(26)39/h21-22,25,27-28,30-32,38-39,41H,6-20,23H2,1-5H3/t25-,27-,28-,30+,31+,32-,35?,36-/m1/s1
InChIKey DSTCZBGJCUOFLM-XVFSTHERSA-N
SMILES O[C@@]12[C@]3([C@@H](C[C@@]4([C@@](C4(C)C)([C@](C3=O)(C=C([C@H]1O)COC(=O)CCCCCCCCCCCCCCC)[H])[H])[H])C)C=C([C@@H]2O)C
ChEBI Ontology
Outgoing Euphorbia factor I (CHEBI:228325) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1S,4S,5R,6R,9R,10R,12R,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate
Manual Xref Database
115284939 ChemSpider
View more database links