(1S,3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-Tetraene-1,3,25,28-Tetrol

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Properties Simple | Detailed

Formula C28H44O4
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4r)-5-hydroxy-1,5-dimethyl-4-(oxidomethyl)hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diolate
Molecular Mass 444.647 g·mol−1
Heat of Formation 127.8 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 588.54 Å 3
Surface Area 467.11 Å 2
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4r)-5-hydroxy-1,5-dimethyl-4-methylol-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4r)-5-hydroxy-4-(hydroxymethyl)-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4r)-5-hydroxy-4-(hydroxymethyl)-1,5-dimethylhex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5r)-6-hydroxy-5-(hydroxymethyl)-6-methyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5r)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e,22e)-(1s,3r)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25,28-tetrol
  • 1,25,28-trihydroxyvitamin d 2
  • 1alpha,25,28-trihydroxyvitamin d2 / 1alpha,25,28-trihydroxyergocalciferol
  • 9,10-secoergosta-5,7,10(19),22-tetraen-1,3,25,28-tetrol, (1alpha,3beta,5z,7e,22e)-
  • lmst03010053
CAS Number(s)
  • 104870-37-3
InChIKey UHMSHZFVGABXAS-KIAAZJKISA-N
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