Chem
J-GLOBAL ID：200907002699587772   Nikkaji number：J910.592A

(22R)-1α,25(OH)2-16,22,23-trans-D3

(22R)-1α,25-ジヒドロキシ-16,17,22,23,23,24-ヘキサデヒドロコレカルシフェロール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H38O3
Molecular formula furigana： C27-H38-O3
Molecular weight： 410.598
InChI： InChI=1S/C27H38O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h8,10-12,14,18,22,24-25,28-30H,2,7,9,13,15-17H2,1,3-5H3/b20-10+,21-11-/t6?,18-,22-,24+,25+,27-/m1/s1
InChI key： WXYSOXAKPGEVAN-OCENQFELSA-N
SMILES： C[C@H](C=C=CC(C)(C)O)C1=CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (2)：
  • (22R)-1α,25-ジヒドロキシ-16,17,22,23,23,24-ヘキサデヒドロコレカルシフェロール
  • (5Z,7E,22R)-9,10-セココレスタ-5,7,10(19),16,22,23-ヘキサエン-1α,3β,25-トリオール
Other name (3)：
  • (22R)-1α,25-Dihydroxy-16,17,22,23,23,24-hexadehydrocholecalciferol
  • (5Z,7E,22R)-9,10-Secocholesta-5,7,10(19),16,22,23-hexene-1α,3β,25-triol
  • (22R)-1α,25(OH)2-16,22,23-trans-D3
Thsaurus map：
Thesaurus Map

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