Met005552: (20R)-24-Hydroxy-19-norgeminivitamin D3

  Metabolite Information

Name
(20R)-24-Hydroxy-19-norgeminivitamin D3
IUPAC Name
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethylundecane-2,3,10-triol
Molecular Formula
C31H54O5
Molecular Weight
506.8
Exact Mass
506.3971248
SMILES
CC12CCCC(=CC=C3CC(CC(C3)O)O)C1CCC2C(CCCC(C)(C)O)CCC(C(C)(C)O)O
InChIKey
DPFVGAAKUUYVQT-CNYUWUMVSA-N
InChI
InChI=1S/C31H54O5/c1-29(2,35)16-6-8-23(12-15-28(34)30(3,4)36)27-14-13-26-22(9-7-17-31(26,27)5)11-10-21-18-24(32)20-25(33)19-21/h10-11,23-28,32-36H,6-9,12-20H2,1-5H3/b22-11+/t23-,24-,25-,26+,27-,28-,31+/m1/s1
Other Databases Link
PubChem:11214329

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Steroids and steroid derivatives
            Subclass: Vitamin D and derivatives

  Crops containing this metabolite

asparagus

  Metabolite Spectrum Accession Label

ASP00004n