Chem
J-GLOBAL ID:200907056851894964
Nikkaji number:J1.988.514C
5,11,17,23,29,35-Hexa-tert-butyl-2,14,26-trithiaheptacyclo[31.3.1.13,7 .19,13 .115,19 .121,25 .127,31 ]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexol
5,11,17,23,29,35-ヘキサ-tert-ブチル-2,14,26-トリチアヘプタシクロ[31.3.1.13,7 .19,13 .115,19 .121,25 .127,31 ]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサオール
Download MOL file
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:
C63 H78 O6 S3
Molecular formula furigana:
C63-H78-O6-S3
Molecular weight:
1027.490
InChI:
InChI=1S/C63H78O6S3/c1-58(2,3)40-22-34-19-35-23-41(59(4,5)6)30-48(53(35)65)71-49-31-44(62(13,14)15)26-38(56(49)68)21-39-27-45(63(16,17)18)33-51(57(39)69)72-50-32-43(61(10,11)12)25-37(55(50)67)20-36-24-42(60(7,8)9)29-47(54(36)66)70-46(28-40)52(34)64/h22-33,64-69H,19-21H2,1-18H3
InChI key:
BIFPQGIIBUBGCX-UHFFFAOYSA-N
SMILES:
CC(C)(C)c1cc2Cc3cc(cc(Sc4cc(cc(Cc5cc(cc(Sc6cc(cc(Cc7cc(cc(Sc(c1)c2O)c7O)C(C)(C)C)c6O)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C
Systematic name (2):
5,11,17,23,29,35-ヘキサ-tert-ブチル-2,14,26-トリチアヘプタシクロ[31.3.1.13,7 .19,13 .115,19 .121,25 .127,31 ]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサオール
5,11,17,23,29,35-hexa-tert-butyl-2,14,26-trithiaheptacyclo[31.3.1.13,7 .19,13 .115,19 .121,25 .127,31 ]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol
Other name (1):
5,11,17,23,29,35-Hexa-tert-butyl-2,14,26-trithiaheptacyclo[31.3.1.13,7 .19,13 .115,19 .121,25 .127,31 ]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexol
Thsaurus map:
Return to Previous Page