Chem
J-GLOBAL ID：200907004128825717   Nikkaji number：J1.431.702C

(3R,5R)-3,5-Dihydroxy-7-[(1S,2S,6R,8R,8aR)-2,6-dimethyl-8-[(2R)-2-carboxypropyl]-1,2,6,7,8,8a-hexahydronaphthalene-1-yl]heptanoic acid

(3R,5R)-3,5-ジヒドロキシ-7-[(1S,2S,6R,8R,8aR)-2,6-ジメチル-8-[(2R)-2-カルボキシプロピル]-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]ヘプタン酸
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： C23H36O6
Molecular formula furigana： C23-H36-O6
Molecular weight： 408.535
InChI： InChI=1S/C23H36O6/c1-13-8-16-5-4-14(2)20(7-6-18(24)11-19(25)12-21(26)27)22(16)17(9-13)10-15(3)23(28)29/h4-5,8,13-15,17-20,22,24-25H,6-7,9-12H2,1-3H3,(H,26,27)(H,28,29)/t13-,14-,15+,17+,18+,19+,20-,22+/m0/s1
InChI key： PZFYNRASPQYRGP-QGFXZZBWSA-N
SMILES： C[C@H](C[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12)C(=O)O
Systematic name  (3)：
  • (3R,5R)-3,5-ジヒドロキシ-7-[(1S,2S,6R,8R,8aR)-2,6-ジメチル-8-[(2R)-2-カルボキシプロピル]-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]ヘプタン酸
  • (3R,5R)-7-[(1S,2S,6R,8R,8aR)-8-[(2R)-2-カルボキシ-2-メチルエチル]-2,6-ジメチル-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]-3,5-ジヒドロキシヘプタン酸
  • (3R,5R)-7-[(1S,2S,6R,8R,8aR)-8-[(2R)-2-carboxy-2-methylethyl]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Other name (1)：
  • (3R,5R)-3,5-Dihydroxy-7-[(1S,2S,6R,8R,8aR)-2,6-dimethyl-8-[(2R)-2-carboxypropyl]-1,2,6,7,8,8a-hexahydronaphthalene-1-yl]heptanoic acid
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