Chem
J-GLOBAL ID：200907040709685580   Nikkaji number：J580.182F

Ro-24-5531

Ro-24-5531
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： C27H32F6O3
Molecular formula furigana： C27-H32-F6-O3
Molecular weight： 518.539
InChI： InChI=1S/C27H32F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-10,16,20,22-23,34-36H,2,5-7,11-12,14-15H2,1,3H3/b18-8+,19-9-/t16-,20-,22+,23+,24-/m1/s1
InChI key： WVQFESJNOSYLJI-GGYAEFIASA-N
SMILES： C[C@H](CC#CC(O)(C(F)(F)F)C(F)(F)F)C1=CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • (5Z,7E)-26,26,26,27,27,27-ヘキサフルオロ-9,10-セココレスタ-5,7,10(19),16-テトラエン-23-イン-1α,3β,25-トリオール
  • (1R,3S,5Z)-5-{2-[(3aS,7E,7aS)-3a-メチル-3-[(2R)-7,7,7-トリフルオロ-6-ヒドロキシ-6-(トリフルオロメチル)ヘプタ-4-イン-2-イル]-3a,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-7-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-[(3aS,7E,7aS)-3a-methyl-3-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-yn-2-yl]-3a,4,5,6,7,7a-hexahydro-1H-inden-7-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (10)：
  • Ro-24-5531
  • (5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19),16-tetren-23-yne-1α,3β,25-triol
  • 1α,25-(OH)2-D3-16-エン-23-イン-F6
  • 1α,25-(OH)2-D3-16-ene-23-yne-F6
  • 1α,25(OH)2-26,27F6-16-エン-23-イン-D3
Show all
CAS registry number： 137102-93-3
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