Np mrd loader

Record Information
Version1.0
Created at2023-04-04 00:03:44 UTC
Updated at2024-05-11 04:57:20 UTC
NP-MRD IDNP0331573
Secondary Accession NumbersNone
Natural Product Identification
Common NameDiscopodinolide A
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC28H38O7
Average Mass486.6050 Da
Monoisotopic Mass486.26175 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]12C[C@@H](O)[C@](O)([C@H](C)[C@]3([H])CC(C)=C(C)C(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H]2O[C@@]22[C@H](O)C=CC(=O)[C@]12C
InChI Identifier
InChI=1S/C28H38O7/c1-13-10-19(34-24(32)14(13)2)15(3)27(33)22(31)12-18-16-11-23-28(35-23)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30-31,33H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,21-,22-,23+,25+,26+,27-,28+/m1/s1
InChI KeyQXEOZLPOIBYOBY-WFQIYJMISA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)kibrom.gebreheiwot@aau.edu.etNot AvailableNot Available2024-05-11View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental)kibrom.gebreheiwot@aau.edu.etNot AvailableNot Available2023-04-04View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental)kibrom.gebreheiwot@aau.edu.etNot AvailableNot Available2023-04-04View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental)kibrom.gebreheiwot@aau.edu.etNot AvailableNot Available2023-04-04View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental)kibrom.gebreheiwot@aau.edu.etNot AvailableNot Available2023-04-04View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental)kibrom.gebreheiwot@aau.edu.etNot AvailableNot Available2023-04-04View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental)kibrom.gebreheiwot@aau.edu.etNot AvailableNot Available2023-04-04View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
penninervium
      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 Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. Bedane KG, Desta MA, Spiteller P: Withanolides from Discopodium penninervium. Fitoterapia. 2023 Jun;167:105478. doi: 10.1016/j.fitote.2023.105478. Epub 2023 Mar 24. [PubMed:36965582 ]