Chem
J-GLOBAL ID:200907008422560107   Nikkaji number:J430.979K

RS-93520

4-[(1R,1α,6α,7Z)-2α-[(S)-3-シクロヘキシル-3-ヒドロキシ-1-プロピニル]-3β-ヒドロキシビシクロ[4.2.0]オクタン-7-イリデン]ブタン酸
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: C21H30O4
Molecular formula furigana: C21-H30-O4
Molecular weight: 346.467
InChI: InChI=1S/C21H30O4/c22-19(14-5-2-1-3-6-14)11-10-17-18-13-15(7-4-8-21(24)25)16(18)9-12-20(17)23/h7,14,16-20,22-23H,1-6,8-9,12-13H2,(H,24,25)/b15-7-/t16-,17-,18+,19+,20-/m0/s1
InChI key: LOWIKMYPLIPDBI-JFRKRPJLSA-N
SMILES: O[C@H](C#C[C@H]1[C@@H]2C/C(=C/CCC(=O)O)/[C@@H]2CC[C@@H]1O)C1CCCCC1
Systematic name  (3):
  • 4-[(1R,1α,6α,7Z)-2α-[(S)-3-シクロヘキシル-3-ヒドロキシ-1-プロピニル]-3β-ヒドロキシビシクロ[4.2.0]オクタン-7-イリデン]ブタン酸
  • 4-[(1R,2R,3S,6R,7Z)-2-[(3S)-3-シクロヘキシル-3-ヒドロキシプロパ-1-イン-1-イル]-3-ヒドロキシビシクロ[4.2.0]オクタン-7-イリデン]ブタン酸
  • 4-[(1R,2R,3S,6R,7Z)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]octan-7-ylidene]butanoic acid
Other name (2):
  • RS-93520
  • 4-[(1R,1α,6α,7Z)-2α-[(S)-3-Cyclohexyl-3-hydroxy-1-propynyl]-3β-hydroxybicyclo[4.2.0]octan-7-ylidene]butanoic acid
CAS registry number: 105880-66-8
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