Chem
J-GLOBAL ID：201207051551395145   Nikkaji number：J3.044.603H

(20S)-1α-Hydroxy-20-[5-(1-hydroxy-1-methylethyl)-2-furanyl]-22,23,24,25,26,27-hexanorcholecalciferol

(20S)-1α-ヒドロキシ-20-[5-(1-ヒドロキシ-1-メチルエチル)-2-フラニル]-22,23,24,25,26,27-ヘキサノル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： C28H40O4
Molecular formula furigana： C28-H40-O4
Molecular weight： 440.624
InChI： InChI=1S/C28H40O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,12-13,18,21-24,29-31H,1,6-7,10-11,14-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,28+/m0/s1
InChI key： LQSIVELXOQAADQ-YQCVTLPCSA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C)c1ccc(o1)C(C)(C)O
Systematic name  (3)：
  • (20S)-1α-ヒドロキシ-20-[5-(1-ヒドロキシ-1-メチルエチル)-2-フラニル]-22,23,24,25,26,27-ヘキサノルコレカルシフェロール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(1S)-1-[5-(2-ヒドロキシプロパン-2-イル)フラン-2-イル]エチル]-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-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(1S)-1-[5-(2-hydroxypropan-2-yl)furan-2-yl]ethyl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (20S)-1α-Hydroxy-20-[5-(1-hydroxy-1-methylethyl)-2-furanyl]-22,23,24,25,26,27-hexanorcholecalciferol
Thsaurus map：
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