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11,23-dimethyl-5,17-pentano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID BfVsk8srl5X
InChI InChI=1S/C35H36O4/c1-20-8-10-24-18-30-23-7-5-3-4-6-22-12-14-26(16-28(20)32(24)36)34(38)31(22)19-25-11-9-21(2)29(33(25)37)17-27(15-13-23)35(30)39/h8-15,36-39H,3-7,16-19H2,1-2H3
InChIKey RUCQXWPFEMRSJE-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C35H36O4
Exact Mass 520.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sP7TLXm3bv
Name 11,23-dimethyl-5,17-pentano-25,26,27,28-tetrahydroxycalix[4]arene
CAS Registry Number 115914-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36O4
InChI InChI=1S/C35H36O4/c1-20-8-10-24-18-30-23-7-5-3-4-6-22-12-14-26(16-28(20)32(24)36)34(38)31(22)19-25-11-9-21(2)29(33(25)37)17-27(15-13-23)35(30)39/h8-15,36-39H,3-7,16-19H2,1-2H3
InChIKey RUCQXWPFEMRSJE-UHFFFAOYSA-N
Molecular Weight 520.669 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c5ccc4CCCCCc(c1Cc1c(c(C5)c(cc1)C)O)cc2)O)ccc3C)O
SPLASH splash10-00di-0100090000-feeec3a4a62c09502537
Source of Spectrum C-110-6816-18
Synonyms 7,19-dimethylhexacyclo[11.11.5.1(2,22).1(4,8).1(10,14).1(16,20)]tritriaconta-1,4(33),5,7,10(32),11,13,16(31),17,19,22(30),23-dodecaene-30,31,32,33-tetrol
Wiley ID 1402068