Chem
J-GLOBAL ID：200907018957775590   Nikkaji number：J1.599.621H

Ro-26-9228

Ro-26-9228
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： C29H43FO2
Molecular formula furigana： C29-H43-F-O2
Molecular weight： 442.659
InChI： InChI=1S/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/t20-,24+,26-,27-,28+/m0/s1
InChI key： LRLWXBHFPGSUOX-UHVPJMMYSA-N
SMILES： CCC(O)(CC)C=CC[C@H](C)C1=CC[C@H]2C(=CC=C3C[C@@H](O)C[C@H](F)C3=C)CCC[C@]12C
Systematic name  (3)：
  • (1R,3S)-3-フルオロ-4-メチレン-5-[2-[(3aS)-1-[(1S)-1-メチル-5-エチル-5-ヒドロキシ-3-ヘプテニル]-7aβ-メチル-5,6,7,7a-テトラヒドロ-3H-インデン-4(3aαH)-イリデン]エチリデン]シクロヘキサノール
  • (1R,5S)-3-{2-[(3aS,7aS)-3-[(2S)-6-エチル-6-ヒドロキシオクタ-4-エン-2-イル]-3a-メチル-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}-5-フルオロ-4-メチリデンシクロヘキサン-1-オール
  • (1R,5S)-3-{2-[(3aS,7aS)-3-[(2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-3a-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-7-ylidene]ethylidene}-5-fluoro-4-methylidenecyclohexan-1-ol
Other name (2)：
  • (1R,3S)-3-Fluoro-4-methylene-5-[2-[(3aS)-1-[(1S)-1-methyl-5-ethyl-5-hydroxy-3-heptenyl]-7aβ-methyl-5,6,7,7a-tetrahydro-3H-indene-4(3aαH)-ylidene]ethylidene]cyclohexanol
  • Ro-26-9228
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