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Showing NP-Card for Baccaramione A (NP0331461)

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Record Information
Version2.0
Created at2023-01-16 20:00:51 UTC
Updated at2026-02-25 06:03:01 UTC
NP-MRD IDNP0331461
Natural Product DOIhttps://doi.org/10.57994/0412
Secondary Accession NumbersNone
Natural Product Identification
Common NameBaccaramione A
DescriptionBaccaramione A belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Baccaramione A was first documented in 2023 (PMID: 36516399). Based on a literature review very few articles have been published on Baccaramione A.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0331461 (Baccaramione A)

Not Available

3D MOL for NP0331461 (Baccaramione A)

Not Available

3D SDF for NP0331461 (Baccaramione A)

Not Available

3D-SDF for NP0331461 (Baccaramione A)

Not Available

PDB for NP0331461 (Baccaramione A)

Not Available

3D PDB for NP0331461 (Baccaramione A)

Not Available

SMILES for NP0331461 (Baccaramione A)

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INCHI for NP0331461 (Baccaramione A)

Not Available
View in JSmol
SynonymsNot Available
Chemical FormulaC18H22O4
Average Mass302.3700 Da
Monoisotopic Mass302.15181 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C18H22O4/c1-17(2)16(21)5-7-18(17)6-4-11-8-14(20)15(22-3)9-12(11)13(18)10-19/h4,6,8-9,13,19-20H,5,7,10H2,1-3H3/t13-,18-/m1/s1
InChI KeyZGDDCFABADWEFM-FZKQIMNGSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-25View Spectrum
1D NMR13C NMR Spectrum (1D, 150.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-25View Spectrum
Species
Species of Origin
Species NameSourceReference
Baccaurea ramiflora
      Not Available
Baccaurea ramiflora
      Not Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentLong-chain fatty alcohols
Alternative Parents
Substituents
  • Long chain fatty alcohol
  • 2-naphthol
  • Naphthalene
  • Anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Benzenoid
  • Cyclic ketone
  • Ketone
  • Ether
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic 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 PropertiesNot Available
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 CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. DOI: 10.1021/acs.joc.2c02442
  2. PMID: 36516399
  3. DOI: 10.1021/ acs.joc.2c02442