Np mrd loader

Showing NP-Card for (1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane (NP0331409)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version1.0
Created at2022-12-23 16:18:07 UTC
Updated at2024-05-14 00:40:55 UTC
NP-MRD IDNP0331409
Secondary Accession NumbersNone
Natural Product Identification
Common Name(1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane
DescriptionNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)

Download
3D MOL for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)
Download
3D SDF for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)
Download
3D-SDF for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)
Download
PDB for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)
Download
3D PDB for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)
Download
SMILES for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)
CCCC\C=C/CCCCCCCCCCC[C@@]1(O)CCC[C@@H](O)C1
Download
INCHI for NP0331409 ((1R,3R)-1,3-Dihydroxy-3-[heptadec-12′(Z)-enyl]cyclohexane)
InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(25)20-17-18-22(24)21-23/h5-6,22,24-25H,2-4,7-21H2,1H3/b6-5-/t22-,23-/m1/s1
Download
View in JSmol
SynonymsNot Available
Chemical FormulaC23H44O2
Average Mass352.6030 Da
Monoisotopic Mass352.33413 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCC\C=C/CCCCCCCCCCC[C@@]1(O)CCC[C@@H](O)C1
InChI Identifier
InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(25)20-17-18-22(24)21-23/h5-6,22,24-25H,2-4,7-21H2,1H3/b6-5-/t22-,23-/m1/s1
InChI KeyRXPUVRNQIDQDFU-XGQSLDJSSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
NOESY NMR[1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)olusolabodede@gmail.comNot AvailableNot Available2024-05-12View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)olusolabodede@gmail.comNot AvailableNot Available2024-05-12View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)olusolabodede@gmail.comNot AvailableNot Available2024-05-12View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)olusolabodede@gmail.comNot AvailableNot Available2024-05-12View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)olusolabodede@gmail.comNot AvailableNot Available2024-05-12View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)olusolabodede@gmail.comNot AvailableNot Available2024-05-12View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
caffrum
      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. Bodede O, More GK, Moodley R, Steenkamp P, Baijnath H, Maharaj V, Prinsloo G: New Alk(en)ylhydroxycyclohexanes with Tyrosinase Inhibition Potential from Harpephyllum caffrum Bernh. Gum Exudate. Molecules. 2022 Jun 15;27(12):3839. doi: 10.3390/molecules27123839. [PubMed:35744961  ]