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CHEBI:220787 - Hexacyclinol

ChEBI IDCHEBI:220787
ChEBI NameHexacyclinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O7
Net Charge0
Average Mass416.470
Monoisotopic Mass416.18350
SMILESCOC(C)(C)[C@H]1C=C2C(=O)[C@@H]3O[C@H]3[C@H](O)[C@H]2[C@@H]2[C@H]3O[C@H](C=C(C)C)[C@]21C(=O)[C@@H]1O[C@@H]31
InChIInChI=1S/C23H28O7/c1-8(2)6-11-23-10(22(3,4)27-5)7-9-12(15(25)18-17(29-18)14(9)24)13(23)16(28-11)19-20(30-19)21(23)26/h6-7,10-13,15-20,25H,1-5H3/t10-,11-,12-,13-,15-,16-,17+,18+,19+,20-,23+/m1/s1
InChIKeyPFZFRWWDGXFULQ-NZXJLHNQSA-N
Species of MetaboliteComponentSourceComments
Panus (ncbitaxon:38807) - PubMed (12458771)
ChEBI Ontology
Outgoing Relation(s)
Hexacyclinol (CHEBI:220787) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,2S,6R,8S,9R,10S,11S,12R,13S,15R,17R)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione
Manual XrefsDatabases
78442872ChemSpider