Np mrd loader

Record Information
Version1.0
Created at2022-12-23 12:08:45 UTC
Updated at2024-04-19 09:39:57 UTC
NP-MRD IDNP0331399
Secondary Accession NumbersNone
Natural Product Identification
Common NameGlenthmycin M
Description Based on a literature review very few articles have been published on (1S,3R,6R,7E,11Z,13R,16S,17S,20S,21R,22S)-27-hydroxy-3,4,6,8,12,14,20,22-octamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]Heptacosa-4,7,11,14,24(27)-pentaen-17-yl acetate.
Structure
Thumb
Synonyms
ValueSource
(1S,3R,6R,7E,11Z,13R,16S,17S,20S,21R,22S)-27-Hydroxy-3,4,6,8,12,14,20,22-octamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0,.0,.0,]heptacosa-4,7,11,14,24(27)-pentaen-17-yl acetic acidGenerator
Chemical FormulaC36H48O6
Average Mass576.7740 Da
Monoisotopic Mass576.34509 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]12C=C(C)[C@@]3([H])C(C)=CCC\C(C)=C/[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2OC(C)=O
InChI Identifier
InChI=1S/C36H48O6/c1-19-11-10-12-20(2)29-22(4)15-26-27(41-25(7)37)14-13-21(3)30(26)35(29,9)31(38)28-32(39)36(42-33(28)40)18-24(6)23(5)17-34(36,8)16-19/h12,15-17,21,24,26-27,29-30,39H,10-11,13-14,18H2,1-9H3/b19-16-,20-12-/t21-,24+,26+,27-,29+,30+,34+,35+,36+/m0/s1
InChI KeyUZJGZPDDMTVQTD-NCZGMQCYSA-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
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
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 ID84451382
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