Vitamin D5

CAS Registry Number®

71761-06-3
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CAS Name

Vitamin D5

Molecular Formula

C29H48O

Molecular Mass

412.69

Cite this Page

Vitamin D5.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=71761-06-3 (retrieved 2024-04-25) (CAS RN: 71761-06-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-106 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1

InChIKey

InChIKey=RMDJVOZETBHEAR-LQYWTLTGSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,5Z)-
  • 9,10-Secostigmasta-5,7,10(19)-trien-3-ol, (3β,5Z,7E)-
  • (1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-Ethyl-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol
  • Vitamin D5
  • 24R-Methylcalciol

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