1α,25-Dihydroxy-24-oxocholecalciferol

CAS Registry Number®

76338-50-6

CAS Name

1α,25-Dihydroxy-24-oxocholecalciferol

Molecular Formula

C27H42O4

Molecular Mass

430.62

Cite this Page

1α,25-Dihydroxy-24-oxocholecalciferol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76338-50-6 (retrieved 2024-11-08) (CAS RN: 76338-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O4/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/h9-10,17,21-24,28-29,31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,27-/m1/s1

InChIKey

InChIKey=BWFQMABKLLTETH-YGQRWWDYSA-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](CCC(C(C)(C)O)=O)C)[H])[H]

Canonical SMILES

O=C(CCC(C)C1CCC2C(=CC=C3C(=C)C(O)CC(O)C3)CCCC21C)C(O)(C)C

Other Names for this Substance

  • 3-Heptanone, 6-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-2-hydroxy-2-methyl-, (6S)-
  • 9,10-Secocholesta-5,7,10(19)-trien-24-one, 1,3,25-trihydroxy-, (1α,3β,5Z,7E)-
  • (6S)-6-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-2-hydroxy-2-methyl-3-heptanone
  • 1α,25-Dihydroxy-24-oxocholecalciferol
  • 24-Oxocalcitriol

Deleted or Replaced CAS Registry Numbers

95416-19-6, 158751-20-3

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles