Eldecalcitol

CAS Registry Number®

104121-92-8

CAS Name

Eldecalcitol

Molecular Formula

C30H50O5

Molecular Mass

490.71

Cite this Page

Eldecalcitol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104121-92-8 (retrieved 2024-11-22) (CAS RN: 104121-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    126-128 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1

InChIKey

InChIKey=FZEXGDDBXLBRTD-AYIMTCTASA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)[C@H](OCCCO)[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(C)(C)O)C)[H])[H]

Canonical SMILES

OCCCOC1C(O)C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(O)(C)C)CC1O

Other Names for this Substance

  • 1,3-Cyclohexanediol, 2-(3-hydroxypropoxy)-4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,2R,3R,5Z)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, 2-(3-hydroxypropoxy)-, (1α,2β,3β,5Z,7E)-
  • (1R,2R,3R,5Z)-2-(3-Hydroxypropoxy)-4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
  • ED 71
  • 2β-(3-Hydroxypropoxy)-1α,25-dihydroxyvitamin D3

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration