Chem
J-GLOBAL ID：201107032779227844   Nikkaji number：J2.909.124B

2α-[2-(1H-Tetrazole-1-yl)ethyl]-1α,25-dihydroxycholecalciferol

2α-[2-(1H-テトラゾール-1-イル)エチル]-1α,25-ジヒドロキシ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： C30H48N4O3
Molecular formula furigana： C30-H48-N4-O3
Molecular weight： 512.739
InChI： InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-19-31-32-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1
InChI key： JNEGSYOGGVGOIX-YVUZACRZSA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)[C@H](CCn4cnnn4)[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (4)：
  • (5Z,7E)-2α-[2-(1H-テトラゾール-1-イル)エチル]-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
  • 2α-[2-(1H-テトラゾール-1-イル)エチル]-1α,25-ジヒドロキシコレカルシフェロール
  • (1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-メチリデン-2-[2-(1H-1,2,3,4-テトラゾール-1-イル)エチル]シクロヘキサン-1,3-ジオール
  • (1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidene-2-[2-(1H-1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol
Other name (2)：
  • (5Z,7E)-2α-[2-(1H-Tetrazole-1-yl)ethyl]-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
  • 2α-[2-(1H-Tetrazole-1-yl)ethyl]-1α,25-dihydroxycholecalciferol
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM