Np mrd loader

Record Information
Version1.0
Created at2022-12-23 12:08:13 UTC
Updated at2024-04-19 09:39:55 UTC
NP-MRD IDNP0331398
Secondary Accession NumbersNone
Natural Product Identification
Common NameGlenthmycin K
Description Based on a literature review very few articles have been published on (1S,3R,6R,7E,11E,13R,16S,17S,20S,21R,22S)-17,27-dihydroxy-3,4,6,8,12,14,20,22-octamethyl-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]Heptacosa-4,7,11,14,24(27)-pentaene-23,25-dione.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC34H46O5
Average Mass534.7370 Da
Monoisotopic Mass534.33452 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H]O[C@H]1CC[C@H](C)[C@]2([H])[C@]1([H])C=C(C)[C@@]1([H])\C(C)=C\CCC(C)=C[C@]3(C)C=C(C)[C@H](C)C[C@]33OC(=O)C(=C3O)C(=O)[C@@]21C
InChI Identifier
InChI=1S/C34H46O5/c1-18-10-9-11-19(2)27-21(4)14-24-25(35)13-12-20(3)28(24)33(27,8)29(36)26-30(37)34(39-31(26)38)17-23(6)22(5)16-32(34,7)15-18/h11,14-16,20,23-25,27-28,35,37H,9-10,12-13,17H2,1-8H3/b18-15+,19-11+/t20-,23+,24+,25-,27+,28+,32+,33+,34+/m0/s1
InChI KeyGSWPHUYQJATONQ-FMJGVCAWSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental)taizong.wu@uq.edu.auNot AvailableNot Available2022-12-23View 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
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID68004039
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available