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11,23-di-tert-5,17-hexadecano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID BYuHjL79WKA
InChI InChI=1S/C52H70O4/c1-51(2,3)45-31-41-28-39-25-35-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-36-24-38(27-37(23-35)47(39)53)48(54)40(26-36)29-42-32-46(52(4,5)6)34-44(50(42)56)30-43(33-45)49(41)55/h23-26,31-34,53-56H,7-22,27-30H2,1-6H3
InChIKey FACZTWNNVOTBBM-UHFFFAOYSA-N
Mol Weight 759.1 g/mol
Molecular Formula C52H70O4
Exact Mass 758.527411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaJtdur2u2t
Name 11,23-di-tert-5,17-hexadecano-25,26,27,28-tetrahydroxycalix[4]arene
CAS Registry Number 115914-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H70O4
InChI InChI=1S/C52H70O4/c1-51(2,3)45-31-41-28-39-25-35-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-36-24-38(27-37(23-35)47(39)53)48(54)40(26-36)29-42-32-46(52(4,5)6)34-44(50(42)56)30-43(33-45)49(41)55/h23-26,31-34,53-56H,7-22,27-30H2,1-6H3
InChIKey FACZTWNNVOTBBM-UHFFFAOYSA-N
Molecular Weight 759.128 g/mol
SMILES Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)CCCCCCCCCCCCCCCCc(c4)c3)cc(c6)C(C)(C)C)O)cc(c5)C(C)(C)C)O)O
SPLASH splash10-0a4i-0100000900-39dd6b6d369e212cf430
Source of Spectrum C-110-6816-30
Synonyms 28,34-ditert-butylhexacyclo[20.17.1.1(3,38).1(20,24).1(26,30).1(32,36)]tetratetraconta-1,3(41),20,21,23,26(43),27,29,32(42),33,35,38-dodecaene-23,39,42,43-tetrol
Wiley ID 1416493