Alfacalcidol

CAS Registry Number®

41294-56-8
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CAS Name

Alfacalcidol

Molecular Formula

C27H44O2

Molecular Mass

400.64

Cite this Page

Alfacalcidol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41294-56-8 (retrieved 2024-03-02) (CAS RN: 41294-56-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1

InChIKey

InChIKey=OFHCOWSQAMBJIW-AVJTYSNKSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

OC1C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)C)CC(O)C1

Other Names for this Substance

  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3R)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1α,3β,5Z,7E)-
  • (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • 1α-Hydroxycholecalciferol
  • 1α-Hydroxyvitamin D3

Deleted or Replaced CAS Registry Numbers

125324-15-4, 41461-06-7, 43157-29-5, 43217-90-9

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