Chem
J-GLOBAL ID:200907097055448918
Nikkaji number:J1.304.461I
25,26,27,28-Tetrakis(benzyloxy)-5,11,17,23-tetra-tert-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
25,26,27,28-テトラキス(ベンジルオキシ)-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(26),16,18,21,23-ドデカエン
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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:
C68 H72 O4 S4
Molecular formula furigana:
C68-H72-O4-S4
Molecular weight:
1081.560
InChI:
InChI=1S/C68H72O4S4/c1-65(2,3)49-33-53-61(69-41-45-25-17-13-18-26-45)54(34-49)74-56-36-51(67(7,8)9)38-58(63(56)71-43-47-29-21-15-22-30-47)76-60-40-52(68(10,11)12)39-59(64(60)72-44-48-31-23-16-24-32-48)75-57-37-50(66(4,5)6)35-55(73-53)62(57)70-42-46-27-19-14-20-28-46/h13-40H,41-44H2,1-12H3
InChI key:
XARFSRZNCMNRDM-UHFFFAOYSA-N
SMILES:
CC(C)(C)c1cc2Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc(c1)c2OCc1ccccc1)c5OCc1ccccc1)C(C)(C)C)c4OCc1ccccc1)C(C)(C)C)c3OCc1ccccc1)C(C)(C)C
Systematic name (4):
25,26,27,28-テトラキス(ベンジルオキシ)-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
5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラキス(ベンジルオキシ)-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),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
25,26,27,28-テトラキス(ベンジルオキシ)-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(26),16,18,21,23-ドデカエン
25,26,27,28-tetrakis(benzyloxy)-5,11,17,23-tetra-tert-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(26),16,18,21,23-dodecaene
Other name (2):
5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(benzyloxy)-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
25,26,27,28-Tetrakis(benzyloxy)-5,11,17,23-tetra-tert-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
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