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11,23-dimethyl-5,17-nonane-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID 7DaoIzWZinR
InChI InChI=1S/C39H44O4/c1-24-12-28-20-32-16-26-10-8-6-4-3-5-7-9-11-27-17-33(21-29(13-24)36(28)40)39(43)35(19-27)23-31-15-25(2)14-30(37(31)41)22-34(18-26)38(32)42/h12-19,40-43H,3-11,20-23H2,1-2H3
InChIKey XBMIRYQXLYCFLX-UHFFFAOYSA-N
Mol Weight 576.8 g/mol
Molecular Formula C39H44O4
Exact Mass 576.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo9EsYvmHDy
Name 11,23-dimethyl-5,17-nonane-25,26,27,28-tetrahydroxycalix[4]arene
CAS Registry Number 115941-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H44O4
InChI InChI=1S/C39H44O4/c1-24-12-28-20-32-16-26-10-8-6-4-3-5-7-9-11-27-17-33(21-29(13-24)36(28)40)39(43)35(19-27)23-31-15-25(2)14-30(37(31)41)22-34(18-26)38(32)42/h12-19,40-43H,3-11,20-23H2,1-2H3
InChIKey XBMIRYQXLYCFLX-UHFFFAOYSA-N
Molecular Weight 576.777 g/mol
SMILES Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)C)cc(c6)CCCCCCCCCc(c4)c3)O)cc(c5)C)O)O
SPLASH splash10-004i-0000090000-417f7b5ceb85243fe0eb
Source of Spectrum C-110-6816-22
Synonyms 21,30-dimethylhexacyclo[13.11.7.1(3,25).1(13,17).1(19,23).1(28,32)]heptatriaconta-1,3(35),13(37),14,16,19(36),20,22,25,28(34),29,31-dodecaene-16,26,34,36-tetrol
Wiley ID 1408271