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Record Information
Version1.0
Created at2022-12-23 16:07:04 UTC
Updated at2024-05-13 01:15:37 UTC
NP-MRD IDNP0331407
Secondary Accession NumbersNone
Natural Product Identification
Common NameSarcophynoid C
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC22H30O5
Average Mass374.4770 Da
Monoisotopic Mass374.20932 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC(C)[C@@H]1[C@H]2OC(=O)C(CC(=O)C\C(C)=C/C\C=C(C)/C[C@H]1OC(C)=O)=C2
InChI Identifier
InChI=1S/C22H30O5/c1-13(2)21-19(26-16(5)23)10-15(4)8-6-7-14(3)9-18(24)11-17-12-20(21)27-22(17)25/h7-8,12-13,19-21H,6,9-11H2,1-5H3/b14-7-,15-8-/t19-,20+,21+/m1/s1
InChI KeyWYZRLZZDCWHGLN-CQYARGJISA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 126 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)yanxia@nbu.edu.cnNot AvailableNot Available2022-12-23View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
sp.
      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. Leng X, Liu J, Han X, Li T, Ouyang H, Yan X, He S: Three New Cembranoids from a Xisha Soft Coral Sarcophyton sp. Chem Biodivers. 2023 Jan;20(1):e202200966. doi: 10.1002/cbdv.202200966. Epub 2022 Dec 20. [PubMed:36445809 ]