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Pentacyclo[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-dodecaene-25,26,27,28-tetrol, 5,17-dichloro-11,23-bis(1,1-dimethylethyl)-, stereoisomer
SpectraBase Compound ID HIDi5mGBy8k
InChI InChI=1S/C36H38Cl2O4/c1-35(2,3)27-11-19-7-23-15-29(37)17-25(33(23)41)9-21-13-28(36(4,5)6)14-22(32(21)40)10-26-18-30(38)16-24(34(26)42)8-20(12-27)31(19)39/h11-18,39-42H,7-10H2,1-6H3
InChIKey CVHVFRRQJPETBS-UHFFFAOYSA-N
Mol Weight 605.6 g/mol
Molecular Formula C36H38Cl2O4
Exact Mass 604.214715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ii0uiQaiuf
Name Pentacyclo[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-dodecaene-25,26,27,28-tetrol, 5,17-dichloro-11,23-bis(1,1-dimethylethyl)-, stereoisomer
CAS Registry Number 127679-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38Cl2O4
InChI InChI=1S/C36H38Cl2O4/c1-35(2,3)27-11-19-7-23-15-29(37)17-25(33(23)41)9-21-13-28(36(4,5)6)14-22(32(21)40)10-26-18-30(38)16-24(34(26)42)8-20(12-27)31(19)39/h11-18,39-42H,7-10H2,1-6H3
InChIKey CVHVFRRQJPETBS-UHFFFAOYSA-N
Molecular Weight 605.602 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)Cl)cc(c5)C(C)(C)C)O)cc(c4)Cl)O)cc(c3)C(C)(C)C)O
SPLASH splash10-0a4i-9200111000-03a2592be34096e7cf53
Source of Spectrum F-46-678-13
Synonyms 5,17-di-tert-butyl-11,23-dichloro-25,26,28-tetrahydroxycalix[4]arene 5,17-ditert-butyl-11,23-dichloropentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol
Wiley ID 1410488