Doxercalciferol

CAS Registry Number®

54573-75-0

CAS Name

Doxercalciferol

Molecular Formula

C28H44O2

Molecular Mass

412.65

Cite this Page

Doxercalciferol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54573-75-0 (retrieved 2024-11-21) (CAS RN: 54573-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1

InChIKey

InChIKey=HKXBNHCUPKIYDM-CGMHZMFXSA-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](/C=C/[C@@H](C(C)C)C)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
  • 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1α,3β,5Z,7E,22E,24R)-
  • (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
  • 1α-Hydroxyvitamin D2
  • 1α-Hydroxyergocalciferol

View All

Deleted or Replaced CAS Registry Numbers

125285-48-5, 87649-67-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration