Np mrd loader

You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on NP-MRD.
Record Information
Version1.0
Created at2023-04-04 00:12:40 UTC
Updated at2023-04-04 00:13:09 UTC
NP-MRD IDNP0331574
Secondary Accession NumbersNone
Natural Product Identification
Common NameDiscopodinolide C
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC28H36O7
Average Mass484.5890 Da
Monoisotopic Mass484.24610 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]12CC[C@H]([C@@H]3C[C@]4(C)C(=O)O[C@@H]3C[C@]4(C)O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C
InChI Identifier
InChI=1S/C28H36O7/c1-24-11-13(17(34-23(24)31)12-25(24,2)32)14-7-8-15-20-16(10-19(30)26(14,15)3)27(4)18(29)6-5-9-28(27,33)22-21(20)35-22/h5-6,13-17,20-22,32-33H,7-12H2,1-4H3/t13-,14+,15-,16-,17+,20-,21-,22-,24+,25-,26+,27-,28-/m0/s1
InChI KeySYVZODIIOLMUBV-RLTRINGXSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
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 OriginNot 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 ReferencesNot Available