Chem
J-GLOBAL ID：200907052888399127   Nikkaji number：J488.732H

I-PTA-OH

(Z)-7-[(1α,5α)-3β-[[2-ヒドロキシ-3-(4-ヒドロキシ-3-ヨードフェニル)プロピル]アミノ]-7,7-ジメチルビシクロ[3.1.1]ヘプタン-2α-イル]-5-ヘプテン酸
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： C25H36INO4
Molecular formula furigana： C25-H36-I-N-O4
Molecular weight： 541.470
InChI： InChI=1S/C25H36INO4/c1-25(2)17-13-20(25)19(7-5-3-4-6-8-24(30)31)22(14-17)27-15-18(28)11-16-9-10-23(29)21(26)12-16/h3,5,9-10,12,17-20,22,27-29H,4,6-8,11,13-15H2,1-2H3,(H,30,31)/b5-3-/t17-,18?,19+,20+,22+/m1/s1
InChI key： RCPAWLXQBMAVGJ-SWVMCKHISA-N
SMILES： CC1(C)[C@@H]2C[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H](C2)NCC(O)Cc1ccc(O)c(I)c1
Systematic name  (3)：
  • (Z)-7-[(1α,5α)-3β-[[2-ヒドロキシ-3-(4-ヒドロキシ-3-ヨードフェニル)プロピル]アミノ]-7,7-ジメチルビシクロ[3.1.1]ヘプタン-2α-イル]-5-ヘプテン酸
  • (5Z)-7-[(1S,2S,3S,5R)-3-{[2-ヒドロキシ-3-(4-ヒドロキシ-3-ヨードフェニル)プロピル]アミノ}-6,6-ジメチルビシクロ[3.1.1]ヘプタン-2-イル]ヘプタ-5-エン酸
  • (5Z)-7-[(1S,2S,3S,5R)-3-{[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino}-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Other name (3)：
  • J-PTA-OH
  • I-PTA-OH
  • (Z)-7-[(1α,5α)-3β-[[2-Hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-7,7-dimethylbicyclo[3.1.1]heptan-2α-yl]-5-heptenoic acid
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