Chem
J-GLOBAL ID：200907042385441678   Nikkaji number：J1.431.707D

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

(3R,5R)-3,5-ジヒドロキシ-7-[(1S,2S,6R,8aR)-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]ヘプタン酸メチル
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： C20H32O4
Molecular formula furigana： C20-H32-O4
Molecular weight： 336.472
InChI： InChI=1S/C20H32O4/c1-13-4-8-19-15(10-13)6-5-14(2)18(19)9-7-16(21)11-17(22)12-20(23)24-3/h5-6,10,13-14,16-19,21-22H,4,7-9,11-12H2,1-3H3/t13-,14+,16-,17-,18+,19+/m1/s1
InChI key： IWVORPXIFPKHNZ-QLWJPQISSA-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)CC[C@H]12
Systematic name  (3)：
  • (3R,5R)-3,5-ジヒドロキシ-7-[(1S,2S,6R,8aR)-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]ヘプタン酸メチル
  • メチル (3R,5R)-7-[(1S,2S,6R,8aR)-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ノアート
  • methyl (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Other name (1)：
  • (3R,5R)-3,5-Dihydroxy-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene-1-yl]heptanoic acid methyl ester
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