Np mrd loader

Record Information
Version2.0
Created at2022-12-21 20:01:06 UTC
Updated at2024-09-03 04:14:57 UTC
NP-MRD IDNP0331219
Natural Product DOIhttps://doi.org/10.57994/0099
Secondary Accession NumbersNone
Natural Product Identification
Common NamePrunolide H
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC34H18Br4O9
Average Mass890.1250 Da
Monoisotopic Mass885.76843 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
OC1=CC=C(C=C1Br)C1=CC(=O)O[C@]11O[C@]2(OC(=O)C=C2C2=CC(Br)=C(O)C=C2)C(=C1C1=CC=C(O)C(Br)=C1)C1=CC(Br)=C(O)C=C1
InChI Identifier
InChI=1S/C34H18Br4O9/c35-21-9-15(1-5-25(21)39)19-13-29(43)45-33(19)31(17-3-7-27(41)23(37)11-17)32(18-4-8-28(42)24(38)12-18)34(47-33)20(14-30(44)46-34)16-2-6-26(40)22(36)10-16/h1-14,39-42H/t33-,34-/m0/s1
InChI KeyOYWHZBOUBCKDAO-HEVIKAOCSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)darren.holland@griffithuni.edu.auNot AvailableNot Available2022-12-21View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)darren.holland@griffithuni.edu.auNot AvailableNot Available2022-12-21View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)darren.holland@griffithuni.edu.auNot AvailableNot Available2022-12-21View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)darren.holland@griffithuni.edu.auNot AvailableNot Available2022-12-21View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)darren.holland@griffithuni.edu.auNot AvailableNot Available2022-12-21View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
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