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Showing NP-Card for (R)-Juglanaloid C (NP0331139)

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Record Information
Version2.0
Created at2022-11-17 17:51:44 UTC
Updated at2024-09-03 04:14:42 UTC
NP-MRD IDNP0331139
Natural Product DOIhttps://doi.org/10.57994/0006
Secondary Accession NumbersNone
Natural Product Identification
Common Name(R)-Juglanaloid C
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0331139 ((R)-Juglanaloid C)

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3D MOL for NP0331139 ((R)-Juglanaloid C)
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3D SDF for NP0331139 ((R)-Juglanaloid C)
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3D-SDF for NP0331139 ((R)-Juglanaloid C)
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PDB for NP0331139 ((R)-Juglanaloid C)
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3D PDB for NP0331139 ((R)-Juglanaloid C)
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SMILES for NP0331139 ((R)-Juglanaloid C)
CN1CC2=C3OCOC3=CC=C2C[C@@]2(OC(=O)C3=C2C=C2OCOC2=C3)C1=O
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INCHI for NP0331139 ((R)-Juglanaloid C)
InChI=1S/C20H15NO7/c1-21-7-12-10(2-3-14-17(12)27-9-24-14)6-20(19(21)23)13-5-16-15(25-8-26-16)4-11(13)18(22)28-20/h2-5H,6-9H2,1H3/t20-/m0/s1
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SynonymsNot Available
Chemical FormulaC20H15NO7
Average Mass381.3400 Da
Monoisotopic Mass381.08485 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CN1CC2=C3OCOC3=CC=C2C[C@@]2(OC(=O)C3=C2C=C2OCOC2=C3)C1=O
InChI Identifier
InChI=1S/C20H15NO7/c1-21-7-12-10(2-3-14-17(12)27-9-24-14)6-20(19(21)23)13-5-16-15(25-8-26-16)4-11(13)18(22)28-20/h2-5H,6-9H2,1H3/t20-/m0/s1
InChI KeyUFSZAONJOVCRPX-FQEVSTJZSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)whengshan@163.comNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)whengshan@163.comNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)whengshan@163.comNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)whengshan@163.comNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)whengshan@163.comNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)whengshan@163.comNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)whengshan@163.comNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
balansae
      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. Luo JZ, Li MS, Song XX, Fang YL, Mo HN, Jiang JC, Zhao HY, Wang HS: New alkaloids and their in vitro antitumor activity of Corydalis balansae. Fitoterapia. 2022 Oct;162:105289. doi: 10.1016/j.fitote.2022.105289. Epub 2022  Sep 1. [PubMed:36058472  ]