Chem
J-GLOBAL ID：200907059113276058   Nikkaji number：J1.264.248B

(23E)-1α,25-Dihydroxy-26,26,26,27,27,27-hexafluoro-23,24-didehydro-19-nor-20,21-methanocholecalciferol

(23E)-1α,25-ジヒドロキシ-26,26,26,27,27,27-ヘキサフルオロ-23,24-ジデヒドロ-19-ノル-20,21-メタノ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： C27H36F6O3
Molecular formula furigana： C27-H36-F6-O3
Molecular weight： 522.572
InChI： InChI=1S/C27H36F6O3/c1-23-9-2-4-18(6-5-17-14-19(34)16-20(35)15-17)21(23)7-8-22(23)24(12-13-24)10-3-11-25(36,26(28,29)30)27(31,32)33/h3,5-6,11,19-22,34-36H,2,4,7-10,12-16H2,1H3/b11-3+,18-6+/t19-,20-,21+,22+,23+/m1/s1
InChI key： PYCUNKUPRKJNDP-BIUBPKQMSA-N
SMILES： C[C@]12CCC/C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3)/[C@@H]1CC[C@@H]2C1(C/C=C/C(O)(C(F)(F)F)C(F)(F)F)CC1
Systematic name  (3)：
  • (23E)-1α,25-ジヒドロキシ-26,26,26,27,27,27-ヘキサフルオロ-23,24-ジデヒドロ-19-ノル-20,21-メタノコレカルシフェロール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-{1-[(2E)-5,5,5-トリフルオロ-4-ヒドロキシ-4-(トリフルオロメチル)ペンタ-2-エン-1-イル]シクロプロピル}-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}シクロヘキサン-1,3-ジオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-{1-[(2E)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-en-1-yl]cyclopropyl}-octahydro-1H-inden-4-ylidene]ethylidene}cyclohexane-1,3-diol
Other name (1)：
  • (23E)-1α,25-Dihydroxy-26,26,26,27,27,27-hexafluoro-23,24-didehydro-19-nor-20,21-methanocholecalciferol
Thsaurus map：
Thesaurus Map

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