Chem
J-GLOBAL ID：201107057750957455   Nikkaji number：J2.929.541G

2α-(3-Hydroxypropyl)-1α-methylcholecalciferol

2α-(3-ヒドロキシプロピル)-1α-メチ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： C31H52O2
Molecular formula furigana： C31-H52-O2
Molecular weight： 456.755
InChI： InChI=1S/C31H52O2/c1-21(2)10-7-11-22(3)28-16-17-29-25(12-8-18-31(28,29)6)14-15-26-20-30(33)27(13-9-19-32)24(5)23(26)4/h14-15,21-22,24,27-30,32-33H,4,7-13,16-20H2,1-3,5-6H3/b25-14+,26-15-/t22-,24-,27-,28-,29+,30-,31-/m1/s1
InChI key： WBTIJRLJKHPFRK-NFKPAIIOSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)[C@H](CCCO)[C@H](C)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • 2α-(3-ヒドロキシプロピル)-1α-メチルコレカルシフェロール
  • (1R,2R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-[(2R)-6-メチルヘプタン-2-イル]-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-2-(3-ヒドロキシプロピル)-3-メチル-4-メチリデンシクロヘキサン-1-オール
  • (1R,2R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-2-(3-hydroxypropyl)-3-methyl-4-methylidenecyclohexan-1-ol
Other name (1)：
  • 2α-(3-Hydroxypropyl)-1α-methylcholecalciferol
Thsaurus map：
Thesaurus Map

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