1α,24(S),25-Trihydroxyvitamin D3

CAS Registry Number®

56142-95-1

CAS Name

1α,24(S),25-Trihydroxyvitamin D3

Molecular Formula

C27H44O4

Molecular Mass

432.64

Cite this Page

1α,24(S),25-Trihydroxyvitamin D3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56142-95-1 (retrieved 2024-11-08) (CAS RN: 56142-95-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1

InChIKey

InChIKey=WFZKUWGUJVKMHC-NABJBPAWSA-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)O)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4S)-4,5-dihydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol, (1α,3β,5Z,7E,24S)-
  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4S)-4,5-Dihydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • (24S)-1α,24,25-Trihydroxyvitamin D3
  • 1α,24S,25-Trihydroxycholecalciferol

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CAS INSIGHTSTM
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