Chem
J-GLOBAL ID：200907055593556300   Nikkaji number：J1.431.704J

(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 1-methyl ester

(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1-メチル
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： C24H38O6
Molecular formula furigana： C24-H38-O6
Molecular weight： 422.562
InChI： InChI=1S/C24H38O6/c1-14-9-17-6-5-15(2)21(23(17)18(10-14)11-16(3)24(28)29)8-7-19(25)12-20(26)13-22(27)30-4/h5-6,9,14-16,18-21,23,25-26H,7-8,10-13H2,1-4H3,(H,28,29)/t14-,15-,16+,18+,19+,20+,21-,23+/m0/s1
InChI key： CPPNRJTUSKHWFC-MVCTUYKOSA-N
SMILES： COC(=O)C[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](C[C@@H](C)C(=O)O)[C@H]12
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1-メチル
  • (2R)-3-[(1R,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-ジヒドロキシ-7-メトキシ-7-オキソヘプチル]-3,7-ジメチル-1,2,3,7,8,8a-ヘキサヒドロナフタレン-1-イル]-2-メチルプロパン酸
  • (2R)-3-[(1R,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-dihydroxy-7-methoxy-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylpropanoic 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 1-methyl ester
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