Lexacalcitol

CAS Registry Number®

131875-08-6
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CAS Name

Lexacalcitol

Molecular Formula

C29H48O4

Molecular Mass

460.69

Cite this Page

Lexacalcitol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131875-08-6 (retrieved 2024-05-15) (CAS RN: 131875-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1

InChIKey

InChIKey=KLZOTDOJMRMLDX-YBBVPDDNSA-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](OCCCC(CC)(CC)O)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-[(4-ethyl-4-hydroxyhexyl)oxy]ethyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • 1,3-Cyclohexanediol, 5-[[1-[1-[(4-ethyl-4-hydroxyhexyl)oxy]ethyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, [1S-[1α(S*),3aβ,4E(1S*,3R*,5Z),7aα]]-
  • 1,3-Cyclohexanediol, 5-[(2E)-[(1S,3aS,7aS)-1-[(1R)-1-[(4-ethyl-4-hydroxyhexyl)oxy]ethyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-[(4-Ethyl-4-hydroxyhexyl)oxy]ethyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • KH 106

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Deleted or Replaced CAS Registry Numbers

138876-52-5

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