Tacalcitol

CAS Registry Number®

57333-96-7
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CAS Name

Tacalcitol

Molecular Formula

C27H44O3

Molecular Mass

416.64

Cite this Page

Tacalcitol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57333-96-7 (retrieved 2024-04-26) (CAS RN: 57333-96-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1

InChIKey

InChIKey=BJYLYJCXYAMOFT-RSFVBTMBSA-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](CC[C@H](C(C)C)O)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, (1α,3β,5Z,7E,24R)-
  • (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
  • 1α,24R-Dihydroxyvitamin D3
  • TV 02

View All

Deleted or Replaced CAS Registry Numbers

131801-95-1

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