Chem
J-GLOBAL ID：200907022549471580   Nikkaji number：J1.509.800G

2α,2′α-[(2,5-Dimethoxy-m-phenylene)bis(methyleneoxy)]-[1α,1′α-[(3S,5S)-3,5-dimethyl-1,4,7-trioxaheptane-1,7-diyl]bis[(1R)-1β-phenylcyclohexane]]

2α,2′α-[(2,5-ジメトキシ-m-フェニレン)ビス(メチレンオキシ)]-[1α,1′α-[(3S,5S)-3,5-ジメチル-1,4,7-トリオキサヘプタン-1,7-ジイル]ビス[(1R)-1β-フェニルシクロヘキサン]]
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： C40H52O7
Molecular formula furigana： C40-H52-O7
Molecular weight： 644.849
InChI： InChI=1S/C40H52O7/c1-29-25-45-39(33-15-7-5-8-16-33)21-13-11-19-36(39)43-27-31-23-35(41-3)24-32(38(31)42-4)28-44-37-20-12-14-22-40(37,46-26-30(2)47-29)34-17-9-6-10-18-34/h5-10,15-18,23-24,29-30,36-37H,11-14,19-22,25-28H2,1-4H3/t29-,30-,36+,37+,39+,40+/m0/s1
InChI key： UNEBKKGBFXXVNJ-NJAWACRBSA-N
SMILES： COc1cc2CO[C@@H]3CCCC[C@@]3(OC[C@H](C)O[C@@H](C)CO[C@]3(CCCC[C@H]3OCc(c1)c2OC)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 2α,2′α-[(2,5-ジメトキシ-m-フェニレン)ビス(メチレンオキシ)]-[1α,1′α-[(3S,5S)-3,5-ジメチル-1,4,7-トリオキサヘプタン-1,7-ジイル]ビス[(1R)-1β-フェニルシクロヘキサン]]
  • (4R,9R,12S,14S,17R,22R)-27,29-ジメトキシ-12,14-ジメチル-9,17-ジフェニル-3,10,13,16,23-ペンタオキサテトラシクロ[23.3.1.04,9.017,22]ノナコサ-1(29),25,27-トリエン
  • (4R,9R,12S,14S,17R,22R)-27,29-dimethoxy-12,14-dimethyl-9,17-diphenyl-3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),25,27-triene
Other name (1)：
  • 2α,2′α-[(2,5-Dimethoxy-m-phenylene)bis(methyleneoxy)]-[1α,1′α-[(3S,5S)-3,5-dimethyl-1,4,7-trioxaheptane-1,7-diyl]bis[(1R)-1β-phenylcyclohexane]]
Thsaurus map：
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