(1S,3R,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraene-1,3,25-triol | CAS No. 1261254-46-9

(1S,3R,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraene-1,3,25-triol

Basic Information

CAS Number

1261254-46-9

Molecular Formula

C28H41D3O3

Molecular Weight

431.68 g/mol

AD

Basic Physical Properties

[2H]C(=C\1[C@H](C[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C)O)O)[2H]

InChI

InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1/i3D2,12D

InChIKey

ZGLHBRQAEXKACO-NZKOVVDYSA-N

LogP

5.726700000000009

Topological Polar Surface Area

60.69 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

758

Synonyms & References

English

  • 1,25-Dihydroxyvitamin D2-[D3]
  • 1,25-Dihydroxyvitamin D2-[D3] (CertiMass solution)
  • 1,25-Dihydroxyvitamin D2-[d3] (Solution)
  • CID 117064628

MDL Number

MFCD19105635

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