Chem
J-GLOBAL ID：200907013523504180   Nikkaji number：J432.031J

(3R,5R)-7-[[8α-[(2,2-Dimethylbutyryl)oxy]-2β,6α-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen]-1β-yl]-3,5-dihydroxyheptanoic acid

(1S,βR,δR)-β,δ-ジヒドロキシ-2β,6α-ジメチル-8α-(2,2-ジメチルブチリルオキシ)-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1β-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： C25H40O6
Molecular formula furigana： C25-H40-O6
Molecular weight： 436.589
InChI： InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23?/m0/s1
InChI key： XWLXKKNPFMNSFA-OVOOIQHOSA-N
SMILES： CCC(C)(C)C(=O)O[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)C12
Systematic name  (4)：
  • (1S,βR,δR)-β,δ-ジヒドロキシ-2β,6α-ジメチル-8α-(2,2-ジメチルブチリルオキシ)-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1β-ヘプタン酸
  • (3R,5R)-7-[[8α-[(2,2-ジメチルブチリル)オキシ]-2β,6α-ジメチル-1,2,6,7,8,8a-ヘキサヒドロナフタレン]-1β-イル]-3,5-ジヒドロキシヘプタン酸
  • (3R,5R)-7-[(1S,2S,6R,8S)-8-[(2,2-ジメチルブタノイル)オキシ]-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,8S)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Other name (1)：
  • (3R,5R)-7-[[8α-[(2,2-Dimethylbutyryl)oxy]-2β,6α-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen]-1β-yl]-3,5-dihydroxyheptanoic acid
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