Ergocalciferol

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Properties Simple | Detailed

Formula C28H44O
IUPAC Name (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 396.648 g·mol−1
Heat of Formation -315.5 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 563.81 Å 3
Surface Area 452.64 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-vitamin d2
  • (1s)-3-[2-[(1r,3as,7ar)-1-[(2r,5r)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1s)-3-[2-[(1r,3as,7ar)-1-[(2r,5r)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • (1s)-3-[2-[(1r,3as,7ar)-7a-methyl-1-[(1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • (1s)-3-[2-[(1r,3as,7ar)-7a-methyl-1-[(1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • (3-beta,5z,7e,22e)-9,10-secoergosta-5,7,10,(19),22-tetraen-3-ol
  • (3beta,5z,7e,22e)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol
  • (3s,5z,7e,22e)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol
  • (3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol
  • (5z,7e,22e)-(3s)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol
  • (5z,7e,22e)-(3s)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol
  • 9,10-seco(5z,7e,22e)-5,7,10(19),22-ergostatetraen-3-ol
  • 9,10-secoergosta-5,7,10(19),22-tetraen-3-beta-ol
  • 9,10-secoergosta-5,7,10(19),22-tetraen-3-ol, (3beta,5z,7e,22e)-
  • acon1_002187
  • activated ergosterol
  • bpbio1_000418
  • calciferol
  • calciferolum
  • cycloheanol, 4-methylene-3-(2-(tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3ah)-indanylidene)ethylidene)-
  • d-tracetten
  • de-rat concentrate
  • drisdol
  • ercalciol
  • ergocalciferol (d2)
  • ergocalciferol [ban:inn:jan]
  • ergocalciferol-water soluble
  • ergocalciferolo [dcit]
  • ergosterol irradiated
  • geltabs vitamin d
  • haliver
  • hyperkil
  • irradiated ergosta-5,7,22-trien-3-beta-ol
  • irradiated ergosterol
  • lmst03010001
  • megxm0_000466
  • mina d2
  • oleovitamin d2
  • rodine c
  • rodinec
  • sorex c.r.
  • vio-d
  • viosterol
  • vitamin- d2
CAS Number(s)
  • 8017-28-5
  • 31316-19-5
  • 7489-18-1
InChIKey MECHNRXZTMCUDQ-RKHKHRCZSA-N
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