Chem
J-GLOBAL ID：200907082000910909   Nikkaji number：J2.082.816A

26-(Ethoxycarbonylmethoxy)-5,11,17,23-tetratert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-25-ol

26-(エトキシカルボニルメトキシ)-5,11,17,23-テトラtert-ブチル-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-オール
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： C44H54O4S4
Molecular formula furigana： C44-H54-O4-S4
Molecular weight： 775.150
InChI： InChI=1S/C44H54O4S4/c1-14-47-38(45)25-48-40-36-21-29(44(11,12)13)22-37(40)52-35-20-28(43(8,9)10)19-34(39(35)46)50-32-17-26(41(2,3)4)15-30(23-32)49-31-16-27(42(5,6)7)18-33(24-31)51-36/h15-24,46H,14,25H2,1-13H3
InChI key： QNELCFAPGDEQIS-UHFFFAOYSA-N
SMILES： CCOC(=O)COc1c2cc(cc1Sc1cc(cc(Sc3cc(cc(c3)Sc3cc(cc(c3)S2)C(C)(C)C)C(C)(C)C)c1O)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 26-(エトキシカルボニルメトキシ)-5,11,17,23-テトラtert-ブチル-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-オール
  • エチル 2-({5,11,17,23-テトラ-tert-ブチル-28-ヒドロキシ-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-ドデカエン-25-イル}オキシ)アセタート
  • ethyl 2-({5,11,17,23-tetra-tert-butyl-28-hydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl}oxy)acetate
Other name (1)：
  • 26-(Ethoxycarbonylmethoxy)-5,11,17,23-tetratert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-25-ol
Thsaurus map：
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