Vitamin D3

CAS Registry Number®

67-97-0
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CAS Name

Vitamin D3

Molecular Formula

C27H44O

Molecular Mass

384.64

Cite this Page

Vitamin D3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67-97-0 (retrieved 2024-06-21) (CAS RN: 67-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84-85 °C
  • Density (2)

    0.939 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

InChIKey

InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N

SMILES

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

Canonical SMILES

OC1CC(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)C)C(=C)CC1

Other Names for this Substance

  • Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)-
  • Cholecalciferol
  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3β,5Z,7E)-
  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol
  • Delsterol

Deleted or Replaced CAS Registry Numbers

8024-19-9, 8050-67-7

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