Chem
J-GLOBAL ID：201107088687019884   Nikkaji number：J2.948.596H

1α,25-Dihydroxy-15α-methoxycholecalciferol

1α,25-ジヒドロキシ-15α-メト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： C28H46O4
Molecular formula furigana： C28-H46-O4
Molecular weight： 446.672
InChI： InChI=1S/C28H46O4/c1-18(9-7-13-27(3,4)31)23-17-25(32-6)26-20(10-8-14-28(23,26)5)11-12-21-15-22(29)16-24(30)19(21)2/h11-12,18,22-26,29-31H,2,7-10,13-17H2,1,3-6H3/b20-11+,21-12-/t18-,22-,23-,24+,25+,26-,28-/m1/s1
InChI key： MKYCMLKYANTZFR-GSVKQXOCSA-N
SMILES： CO[C@H]1C[C@H]([C@H](C)CCCC(C)(C)O)[C@@]2(C)CCC/C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)/[C@H]12
Systematic name  (3)：
  • 1α,25-ジヒドロキシ-15α-メトキシコレカルシフェロール
  • (1R,3S,5Z)-5-{2-[(1R,3S,3aS,4E,7aR)-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-3-メトキシ-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,3S,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-3-methoxy-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1)：
  • 1α,25-Dihydroxy-15α-methoxycholecalciferol
Thsaurus map：
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