Chem
J-GLOBAL ID：200907086950986559   Nikkaji number：J1.872.562B

3β-Amino-3-deoxy-1α,25-dihydroxycholecalciferol

3β-アミノ-3-デオキシ-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： C27H45NO2
Molecular formula furigana： C27-H45-N-O2
Molecular weight： 415.662
InChI： InChI=1S/C27H45NO2/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/h10-11,18,22-25,29-30H,2,6-9,12-17,28H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
InChI key： GNLMGABGURBWKB-NKMMMXOESA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](N)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • 3β-アミノ-3-デオキシ-1α,25-ジヒドロキシコレカルシフェロール
  • (1S,3Z,5R)-3-{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}-5-アミノ-2-メチリデンシクロヘキサン-1-オール
  • (1S,3Z,5R)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-5-amino-2-methylidenecyclohexan-1-ol
Other name (1)：
  • 3β-Amino-3-deoxy-1α,25-dihydroxycholecalciferol
Thsaurus map：
Thesaurus Map

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