Np mrd loader

Record Information
Version1.0
Created at2023-01-12 20:09:17 UTC
Updated at2024-05-11 14:58:38 UTC
NP-MRD IDNP0331439
Secondary Accession NumbersNone
Natural Product Identification
Common NameHemiactinomycin
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC32H44N6O8
Average Mass640.7380 Da
Monoisotopic Mass640.32206 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H]N(C1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(N([H])C1=O)C(C)C)C(=O)C1=CC=C(C)C2=C1N=CO2
InChI Identifier
InChI=1S/C32H44N6O8/c1-16(2)23-31(43)38-13-9-10-21(38)30(42)36(7)14-22(39)37(8)26(17(3)4)32(44)46-19(6)24(29(41)34-23)35-28(40)20-12-11-18(5)27-25(20)33-15-45-27/h11-12,15-17,19,21,23-24,26H,9-10,13-14H2,1-8H3,(H,34,41)(H,35,40)
InChI KeyRULATXHPXHXCPF-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)guangxzh@sina.comNot AvailableNot Available2023-01-12View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)guangxzh@sina.comNot AvailableNot Available2023-01-12View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)guangxzh@sina.comNot AvailableNot Available2023-01-12View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)guangxzh@sina.comNot AvailableNot Available2023-01-12View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental)guangxzh@sina.comNot AvailableNot Available2023-01-12View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental)guangxzh@sina.comNot AvailableNot Available2023-01-12View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)guangxzh@sina.comNot AvailableNot Available2023-01-12View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600, CD3OD, simulated)Not AvailableNot AvailableNot Available2024-05-11View Spectrum
Species
Species of Origin
Species NameSourceReference
antibioticus H41-55
      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. Liu T, Xu T, Hu C, Sun D, Zhou G: Hemiactinomycin, an undescribed intermediate of actinomycin biosynthesis from an actinomycetes strain Streptomyces antibioticus H41-55. Nat Prod Res. 2024 May;38(9):1577-1582. doi: 10.1080/14786419.2022.2161541. Epub 2022 Dec 23. [PubMed:36564053 ]