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(24R)-1alpha,24-dihydroxy-22-oxavitamin D3

Go to external page http://purl.obolibrary.org/obo/CHEBI_73923

A hydroxy seco-steroid that is calciol with C-22 replaced with an oxygen atom, and additional hydroxy groups at positions 1 and 24.

Term info

Label

(24R)-1alpha,24-dihydroxy-22-oxavitamin D3

Synonyms
  • (1S,3R,5Z,7E,9xi,20S)-20-{[(2R)-2-hydroxy-3-methylbutyl]oxy}-9,10-secopregna-5,7,10-triene-1,3-diol
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,3R,5Z,7E,9xi,20S)-20-{[(2R)-2-hydroxy-3-methylbutyl]oxy}-9,10-secopregna-5,7,10-triene-1,3-diol [ IUPAC ]

charge

0

formula

C26H42O4

has obo namespace

chebi_ontology

has related synonym

(5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol, (24R)-1alpha,24-dihydroxy-22-oxacholecalciferol

id

CHEBI:73923

inchi

InChI=1S/C26H42O4/c1-16(2)25(29)15-30-18(4)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(27)14-24(28)17(20)3/h8-9,16,18,21-25,27-29H,3,6-7,10-15H2,1-2,4-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,25-,26+/m0/s1

inchikey

QBLPQGCPHVNTFS-KJWIQCNYSA-N

mass

418.60930

monoisotopicmass

418.30831

smiles

[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)OC[C@H](O)C(C)C