Np mrd loader

Record Information
Version2.0
Created at2023-01-16 20:00:34 UTC
Updated at2024-09-03 04:15:48 UTC
NP-MRD IDNP0331460
Natural Product DOIhttps://doi.org/10.57994/0411
Secondary Accession NumbersNone
Natural Product Identification
Common NameBaccaramione C
Description Baccaramione C was first documented in 2023 (PMID: 36516399). Based on a literature review very few articles have been published on Baccaramione C.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC19H22O4
Average Mass314.3810 Da
Monoisotopic Mass314.15181 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C19H22O4/c1-18(2)15(20)7-6-13-12-10-14(22-4)16(21)17(23-5)11(12)8-9-19(13,18)3/h6-10,13,21H,1-5H3/t13-,19+/m0/s1
InChI KeyRRYILQPHSOGAPK-ORAYPTAESA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
NOESY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)zbbrush@simm.ac.cnNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)zbbrush@simm.ac.cnNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)zbbrush@simm.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)zbbrush@simm.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)zbbrush@simm.ac.cnNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)zbbrush@simm.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)zbbrush@simm.ac.cnNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
ramiflora
      Not Available
Chemical Taxonomy
ClassificationNot classified
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. Chen SS, Tong X, Liu XY, Zheng CY, Zhou JS, Fan YY, He SJ, Zhou B, Yue JM: Baccaramiones A-D, Four Highly Oxygenated and Rearranged Trinorditerpenoids from Baccaurea ramiflora. J Org Chem. 2023 Jan 6;88(1):455-461. doi: 10.1021/acs.joc.2c02442. Epub 2022 Dec 14. [PubMed:36516399 ]