| SpectraBase Spectrum ID |
EY6DRdwHyHr |
| Name |
Heptacyclo[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, 5,17,29-trichloro-11,23,35-tris(1,1-dimethylethyl)-, stereoisomer |
| CAS Registry Number |
127679-92-9 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C54H57Cl3O6 |
| InChI |
InChI=1S/C54H57Cl3O6/c1-52(2,3)40-16-28-10-34-22-43(55)24-36(49(34)61)12-30-18-41(53(4,5)6)20-32(47(30)59)14-38-26-45(57)27-39(51(38)63)15-33-21-42(54(7,8)9)19-31(48(33)60)13-37-25-44(56)23-35(50(37)62)11-29(17-40)46(28)58/h16-27,58-63H,10-15H2,1-9H3 |
| InChIKey |
HPESPNNBYQSBED-UHFFFAOYSA-N |
| Molecular Weight |
908.403 g/mol |
| SMILES |
Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc6c(c(Cc7c(c(Cc1cc(c2)Cl)cc(c7)C(C)(C)C)O)cc(c6)Cl)O)cc(c5)C(C)(C)C)O)cc(c4)Cl)O)cc(c3)C(C)(C)C)O |
| SPLASH |
splash10-0a4i-0000000049-a65485d211faeadac977 |
| Source of Spectrum |
F-46-680-23 |
| Synonyms |
11,23,35-tri-tert-butyl-5,17,29-trichloroheptacyclo[31.3.1.1(3,7).1(9,13).1(15,19).1(21,25).1(27,31)]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol
5,17,29-tri-tert-butyl-11,23,35-trichloro-37,38,39,40,41,42-hexahydroxycalix[6]arene |
| Wiley ID |
1418054 |
![Heptacyclo[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, 5,17,29-trichloro-11,23,35-tris(1,1-dimethylethyl)-, stereoisomer](/api/spectrum/EY6DRdwHyHr/structure.png?h=300&w=458 "Heptacyclo[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, 5,17,29-trichloro-11,23,35-tris(1,1-dimethylethyl)-, stereoisomer")
