Np mrd loader

Record Information
Version2.0
Created at2026-02-17 19:02:22 UTC
Updated at2026-02-17 20:01:16 UTC
NP-MRD IDNP0353113
Natural Product DOIhttps://doi.org/10.57994/7461
Secondary Accession NumbersNone
Natural Product Identification
Common Name12β,6′-Dihydroxycalotropin
Description 12β,6′-Dihydroxycalotropin was first documented in 2019 (PMID: 30629433).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC29H40O11
Average Mass564.6280 Da
Monoisotopic Mass564.25706 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]12C[C@]3([H])CC[C@]4([H])[C@]([H])(C[C@@H](O)[C@]5(C)[C@H](CC[C@]45O)C4=CC(=O)OC4)[C@]3(C[C@@]1([H])O[C@@]1(O)[C@@H](O)C[C@@H](CO)O[C@@]1([H])O2)C=O
InChI Identifier
InChI=1S/C29H40O11/c1-26-17(14-6-24(34)37-12-14)4-5-28(26,35)18-3-2-15-7-20-21(10-27(15,13-31)19(18)9-22(26)32)40-29(36)23(33)8-16(11-30)38-25(29)39-20/h6,13,15-23,25,30,32-33,35-36H,2-5,7-12H2,1H3/t15-,16-,17+,18+,19-,20+,21+,22+,23-,25-,26-,27+,28-,29-/m0/s1
InChI KeyWVWARXGTPSCHDN-FVUVBFMOSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-17View Spectrum
1D NMR13C NMR Spectrum (1D, 150.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-17View Spectrum
Species
Species of Origin
Species NameSourceReference
Pergularia tomentosa
      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. DOI: 10.1021/acs.jnatprod.8b00630
  2. PMID: 30629433