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11,23-dimethyl-5,17-decano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID 7XO4pf4XwVU
InChI InChI=1S/C40H46O4/c1-25-13-29-21-33-17-27-11-9-7-5-3-4-6-8-10-12-28-18-34(22-30(14-25)37(29)41)40(44)36(20-28)24-32-16-26(2)15-31(38(32)42)23-35(19-27)39(33)43/h13-20,41-44H,3-12,21-24H2,1-2H3
InChIKey ZHMZXLNPASXNQK-UHFFFAOYSA-N
Mol Weight 590.8 g/mol
Molecular Formula C40H46O4
Exact Mass 590.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ROstWyXHqf
Name 11,23-dimethyl-5,17-decano-25,26,27,28-tetrahydroxycalix[4]arene
Alternate Name(s) 22,31-dimethylhexacyclo[14.11.7.1(3,26).1(14,18).1(20,24).1(29,33)]octatriaconta-1,3(36),14(38),15,17,20(37),21,23,26,29(35),30,32-dodecaene-17,27,35,37-tetrol
CAS Registry Number 115914-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H46O4
InChI InChI=1S/C40H46O4/c1-25-13-29-21-33-17-27-11-9-7-5-3-4-6-8-10-12-28-18-34(22-30(14-25)37(29)41)40(44)36(20-28)24-32-16-26(2)15-31(38(32)42)23-35(19-27)39(33)43/h13-20,41-44H,3-12,21-24H2,1-2H3
InChIKey ZHMZXLNPASXNQK-UHFFFAOYSA-N
Molecular Weight 590.804 g/mol
SMILES Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)C)cc(c6)CCCCCCCCCCc(c4)c3)O)cc(c5)C)O)O
SPLASH splash10-0006-0400090000-526ef0387e3be2ebd3df
Source of Spectrum C-110-6816-23
Wiley ID 1409389