Np mrd loader

Record Information
Version2.0
Created at2025-09-23 13:06:51 UTC
Updated at2026-03-29 03:35:39 UTC
NP-MRD IDNP0351582
Natural Product DOIhttps://doi.org/10.57994/4629
Secondary Accession NumbersNone
Natural Product Identification
Common Namewrightisulfate E
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC32H46CaO12S2
Average Mass726.9100 Da
Monoisotopic Mass726.20566 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[Ca++].C[C@H](CC\C=C(/C)C(O)=O)C1=C2[C@H](C)C[C@@]34C[C@@]33CC[C@H](OS([O-])(=O)=O)[C@@](C)(COS([O-])(=O)=O)C3CCC4[C@]2(C)[C@H](C1)OC(C)=O
InChI Identifier
InChI=1S/C32H48O12S2.Ca/c1-18(8-7-9-19(2)28(34)35)22-14-26(43-21(4)33)30(6)24-11-10-23-29(5,17-42-45(36,37)38)25(44-46(39,40)41)12-13-31(23)16-32(24,31)15-20(3)27(22)30;/h9,18,20,23-26H,7-8,10-17H2,1-6H3,(H,34,35)(H,36,37,38)(H,39,40,41);/q;+2/p-2/b19-9+;/t18-,20-,23?,24?,25+,26+,29+,30-,31-,32+;/m1./s1
InChI KeyMQJWRATZHQIKCT-SUQVPKTNSA-L
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]College of Life and Health Sciences, Northeastern University, ChinaLi Han2025-09-23View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]College of Life and Health Sciences, Northeastern University, ChinaLi Han2025-09-23View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]College of Life and Health Sciences, Northeastern University, ChinaLi Han2025-09-23View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]College of Life and Health Sciences, Northeastern University, ChinaLi Han2025-09-23View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)[email protected]College of Life and Health Sciences, Northeastern University, ChinaLi Han2025-09-23View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)[email protected]College of Life and Health Sciences, Northeastern University, ChinaLi Han2025-09-23View 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 References