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Record Information
Version2.0
Created at2022-09-06 22:48:58 UTC
Updated at2022-09-06 22:48:58 UTC
NP-MRD IDNP0239256
Secondary Accession NumbersNone
Natural Product Identification
Common Name(3ar,9s,9ar,9bs)-3a-hydroxy-3,9,9a-trimethyl-7h,8h,9h,9bh-naphtho[1,2-b]furan-4,6-dione
Description3A,7,8,9,9a,9bbeta-Hexahydro-3abeta-hydroxy-3,9alpha,9aalpha-trimethylnaphtho[1,2-b]furan-4,6-dione belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (3ar,9s,9ar,9bs)-3a-hydroxy-3,9,9a-trimethyl-7h,8h,9h,9bh-naphtho[1,2-b]furan-4,6-dione is found in Ligularia veitchiana. Based on a literature review very few articles have been published on 3a,7,8,9,9a,9bbeta-Hexahydro-3abeta-hydroxy-3,9alpha,9aalpha-trimethylnaphtho[1,2-b]furan-4,6-dione.
Structure
Thumb
Synonyms
ValueSource
3a,7,8,9,9a,9Bbeta-hexahydro-3abeta-hydroxy-3,9a,9aalpha-trimethylnaphtho[1,2-b]furan-4,6-dioneGenerator
3a,7,8,9,9a,9Bbeta-hexahydro-3abeta-hydroxy-3,9α,9aalpha-trimethylnaphtho[1,2-b]furan-4,6-dioneGenerator
Chemical FormulaC15H18O4
Average Mass262.3050 Da
Monoisotopic Mass262.12051 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
C[C@H]1CCC(=O)C2=CC(=O)[C@]3(O)[C@@H](OC=C3C)[C@]12C
InChI Identifier
InChI=1S/C15H18O4/c1-8-4-5-11(16)10-6-12(17)15(18)9(2)7-19-13(15)14(8,10)3/h6-8,13,18H,4-5H2,1-3H3/t8-,13-,14+,15-/m0/s1
InChI KeyMAPXUNQSUZDJSL-GQPBWUKJSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Ligularia veitchianaLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassNaphthofurans
Sub ClassNot Available
Direct ParentNaphthofurans
Alternative Parents
Substituents
  • Naphthofuran
  • Cyclohexenone
  • Tertiary alcohol
  • Dihydrofuran
  • Ketone
  • Oxacycle
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101618859
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]