Structure Database (LMSD)
Common Name
24,25-dihydroxy-24-epivitamin D2
Systematic Name
(5Z,7E,22E)-(3S,24S)-24-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol
Synonyms
- 24,25-dihydroxy-24-epiergocalciferol
3D model of 24,25-dihydroxy-24-epivitamin D2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BPEQZNMKGFTMQE-AYOVJLNISA-N
InChi (Click to copy)
InChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28+/m1/s1
SMILES (Click to copy)
C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CCC\2)[C@]([H])(C)/C=C/[C@](C)(O)C(O)(C)C)/C[C@@H](O)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Syntheses of 24,25-dihydroxyvitamin D2, 24,25-dihydroxy-22-dehydrovitamin D3, 25-hydroxy-24-oxo-22-dehydrovitamin D3 and 22,24,25-trihydroxyvitamin D3.,
Chem Pharm Bull (Tokyo), 1987
Chem Pharm Bull (Tokyo), 1987
Pubmed ID:
3496978
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
471.69
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
6.73
Molar Refractivity
130.10
Admin
Created at
-
Updated at
24th Feb 2022