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11,23-dimethyl-5,7-tetradecano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID F990Okypcoa
InChI InChI=1S/C44H54O4/c1-29-17-33-25-37-21-31-15-13-11-9-7-5-3-4-6-8-10-12-14-16-32-22-38(26-34(18-29)41(33)45)44(48)40(24-32)28-36-20-30(2)19-35(42(36)46)27-39(23-31)43(37)47/h17-24,45-48H,3-16,25-28H2,1-2H3
InChIKey QQCDLEBLTWLSHK-UHFFFAOYSA-N
Mol Weight 646.9 g/mol
Molecular Formula C44H54O4
Exact Mass 646.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aSpvPnddTo
Name 11,23-dimethyl-5,7-tetradecano-25,26,27,28-tetrahydroxycalix[4]arene
CAS Registry Number 115914-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H54O4
InChI InChI=1S/C44H54O4/c1-29-17-33-25-37-21-31-15-13-11-9-7-5-3-4-6-8-10-12-14-16-32-22-38(26-34(18-29)41(33)45)44(48)40(24-32)28-36-20-30(2)19-35(42(36)46)27-39(23-31)43(37)47/h17-24,45-48H,3-16,25-28H2,1-2H3
InChIKey QQCDLEBLTWLSHK-UHFFFAOYSA-N
Molecular Weight 646.912 g/mol
SMILES Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)C)cc(c6)CCCCCCCCCCCCCCc(c4)c3)O)cc(c5)C)O)O
SPLASH splash10-0002-0300009000-a1bdea4fa1a010013bce
Source of Spectrum C-110-6816-25
Synonyms 26,35-dimethylhexacyclo[18.11.7.1(3,30).1(18,22).1(24,28).1(33,37)]dotetraconta-1,3(40),18(42),19,21,24(41),25,27,30,33(39),34,36-dodecaene-21,31,39,41-tetrol
Wiley ID 1412944