Np mrd loader

Record Information
Version1.0
Created at2023-06-08 16:11:03 UTC
Updated at2024-05-13 01:10:35 UTC
NP-MRD IDNP0331676
Secondary Accession NumbersNone
Natural Product Identification
Common Name(3S,14R)-3β-formyloxy-12-en-27-oic acid
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC31H48O4
Average Mass484.7210 Da
Monoisotopic Mass484.35526 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CCC4[C@@]5(C)CC[C@H](OC=O)C(C)(C)C5CC[C@@]34C)C2C1
InChI Identifier
InChI=1S/C31H48O4/c1-26(2)14-15-28(5)16-17-31(25(33)34)20(21(28)18-26)8-9-23-29(6)12-11-24(35-19-32)27(3,4)22(29)10-13-30(23,31)7/h8,19,21-24H,9-18H2,1-7H3,(H,33,34)/t21?,22?,23?,24-,28+,29-,30+,31+/m0/s1
InChI KeyIRXIKEPAJYCMDC-GRZNOTCYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)zxliao@seu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)zxliao@seu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
grandis
      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. Shao Y, Li Q, Wang M, Wang C, Zhang Y, Xu C, Liao Z, Han H: Triterpenoid acids characterized by the oxidation of the C-27-methy from the roots of Astilbe grandis Stapf ex Wils. Fitoterapia. 2023 Jul;168:105556. doi: 10.1016/j.fitote.2023.105556. Epub 2023 May 30. [PubMed:37263444 ]