(3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-Tetraene-3,24,25-Triol

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Formula C28H44O3
IUPAC Name (e,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethyl-hept-4-ene-2,3-diol
Molecular Mass 428.647 g·mol−1
Heat of Formation -691.1 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 581.68 Å 3
Surface Area 464.11 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (e,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethyl-hept-4-ene-2,3-diol
  • (e,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol
  • (e,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethyl-hept-4-ene-2,3-diol
  • (e,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol
  • 24,25-dihydroxyergocalciferol
  • 24,25-dihydroxyvitamin d2
  • 9,10-secoergosta-5,7,10(19),22-tetraene-3,24,25-triol, (3beta,5z,7e,22e)-
CAS Number(s)
  • 71183-99-8
InChIKey BPEQZNMKGFTMQE-BJWACDMPSA-N
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