Np mrd loader

Record Information
Version2.0
Created at2023-03-17 18:02:29 UTC
Updated at2024-09-03 04:16:06 UTC
NP-MRD IDNP0331555
Natural Product DOIhttps://doi.org/10.57994/0531
Secondary Accession NumbersNone
Natural Product Identification
Common NameGlyclauxin A
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC32H27NO12
Average Mass617.5630 Da
Monoisotopic Mass617.15333 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]12[C@H](O)[C@]3(COC(=O)C4=C3C(=C(C)C=C4O)C1=O)C1=C2C2=C(C)C=C(O)C3=C2C(=CN([C@H]2CO[C@H](CO)[C@@H](O)[C@@H]2O)C3=O)C1=O
InChI Identifier
InChI=1S/C32H27NO12/c1-9-3-13(35)19-18-11(5-33(30(19)42)12-7-44-15(6-34)27(39)26(12)38)25(37)24-21(16(9)18)22-28(40)17-10(2)4-14(36)20-23(17)32(24,29(22)41)8-45-31(20)43/h3-5,12,15,22,26-27,29,34-36,38-39,41H,6-8H2,1-2H3/t12-,15+,22-,26+,27+,29-,32-/m0/s1
InChI KeyWOQKKVMKDIJXSG-IIPPMNGDSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2023-03-17View 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