Chem
J-GLOBAL ID：200907010812751625   Nikkaji number：J1.824.561B

(20S)-1α,25-Dihydroxy-2α-ethylcholecalciferol

(20S)-1α,25-ジヒドロキシ-2α-エ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： C29H48O3
Molecular formula furigana： C29-H48-O3
Molecular weight： 444.700
InChI： InChI=1S/C29H48O3/c1-7-23-26(30)18-22(20(3)27(23)31)13-12-21-11-9-17-29(6)24(14-15-25(21)29)19(2)10-8-16-28(4,5)32/h12-13,19,23-27,30-32H,3,7-11,14-18H2,1-2,4-6H3/b21-12+,22-13-/t19-,23-,24+,25-,26+,27+,29+/m0/s1
InChI key： UAWFORFCJKVYBB-MYRYTHQJSA-N
SMILES： CC[C@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@@H](C)CCCC(C)(C)O)/C(=C)[C@H]1O
Systematic name  (4)：
  • (14S,20S)-1α,25-ジヒドロキシ-2α-エチルコレカルシフェロール
  • (20S)-1α,25-ジヒドロキシ-2α-エチルコレカルシフェロール
  • (1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-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}-2-エチル-4-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-ethyl-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (14S,20S)-1α,25-Dihydroxy-2α-ethylcholecalciferol
  • (20S)-1α,25-Dihydroxy-2α-ethylcholecalciferol
Thsaurus map：
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