CHEBI:50296 - 9-deoxyforskolin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-deoxyforskolin
ChEBI ID CHEBI:50296
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H34O6
Net Charge 0
Average Mass 394.50176
Monoisotopic Mass 394.23554
InChI InChI=1S/C22H34O6/c1-8-20(5)11-13(24)16-21(6)14(25)9-10-19(3,4)17(21)15(26)18(27-12(2)23)22(16,7)28-20/h8,14-18,25-26H,1,9-11H2,2-7H3/t14-,15-,16+,17-,18-,20-,21+,22-/m0/s1
InChIKey SUZLHDUTVMZSEV-WESICCPUSA-N
SMILES [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3([H])[C@@]1(C)[C@@H](O)CCC2(C)C)C=C
ChEBI Ontology
Outgoing 9-deoxyforskolin (CHEBI:50296) is a labdane diterpenoid (CHEBI:36770)
IUPAC Name
(3R,4aR,5S,6S,6aS,10S,10aS,10bS)-3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
Synonym Source
7β-acetoxy-8,13-epoxy-1α,6β-dihydroxylabd-14-en-11-one ChEBI
Registry Number Type Source
5999164 Beilstein Registry Number Beilstein
Last Modified
18 July 2008