trans-Vitamin D3

CAS Registry Number®

22350-41-0
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CAS Name

trans-Vitamin D3

Molecular Formula

C27H44O

Molecular Mass

384.64

Cite this Page

trans-Vitamin D3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22350-41-0 (retrieved 2024-04-20) (CAS RN: 22350-41-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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-FVUVGDFOSA-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,3E)-
  • 9,10-Secocholesta-5,7,10(19)-trien-3β-ol, (E,E)-
  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3β,5E,7E)-
  • (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol
  • trans-Vitamin D3

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