Np mrd loader

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Record Information
Version1.0
Created at2024-04-23 06:02:02 UTC
Updated at2024-04-28 18:21:02 UTC
NP-MRD IDNP0332839
Secondary Accession NumbersNone
Natural Product Identification
Common Name(±)-Penindolene C
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC19H24N2O2
Average Mass312.4130 Da
Monoisotopic Mass312.18378 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC(C)(C=C)C1=C(CCN2[C@@H](O)CCC2=O)C2=CC=CC=C2N1
InChI Identifier
InChI=1S/C19H24N2O2/c1-4-19(2,3)18-14(13-7-5-6-8-15(13)20-18)11-12-21-16(22)9-10-17(21)23/h4-8,16,20,22H,1,9-12H2,2-3H3/t16-/m0/s1
InChI KeyDGPFSUGNVRYGDD-INIZCTEOSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)m8545303@163.comInstitute of Oceanology, Chinese Academy of SciencesLinghong Meng2024-04-23View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
brocae MA-231
      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. Meng LH, Awakawa T, Li XM, Quan Z, Yang SQ, Wang BG, Abe I: Discovery of (+/-)-Penindolenes Reveals an Unusual Indole Ring Cleavage Pathway Catalyzed by P450 Monooxygenase. Angew Chem Int Ed Engl. 2024 Apr 18:e202403963. doi: 10.1002/anie.202403963. [PubMed:38635317 ]