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11,23-dimethyl-5,17-hexano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID HMT3R1hcHE8
InChI InChI=1S/C36H38O4/c1-21-9-25-17-29-13-23-7-5-3-4-6-8-24-14-30(18-26(10-21)33(25)37)36(40)32(16-24)20-28-12-22(2)11-27(34(28)38)19-31(15-23)35(29)39/h9-16,37-40H,3-8,17-20H2,1-2H3
InChIKey NJCSAMZFHFZTRT-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C36H38O4
Exact Mass 534.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2kZiNiLpGO
Name 11,23-dimethyl-5,17-hexano-25,26,27,28-tetrahydroxycalix[4]arene
CAS Registry Number 115914-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38O4
InChI InChI=1S/C36H38O4/c1-21-9-25-17-29-13-23-7-5-3-4-6-8-24-14-30(18-26(10-21)33(25)37)36(40)32(16-24)20-28-12-22(2)11-27(34(28)38)19-31(15-23)35(29)39/h9-16,37-40H,3-8,17-20H2,1-2H3
InChIKey NJCSAMZFHFZTRT-UHFFFAOYSA-N
Molecular Weight 534.696 g/mol
SMILES Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)C)cc(c6)CCCCCCc(c4)c3)O)cc(c5)C)O)O
SPLASH splash10-001i-0000090000-2ae4a2c1a3d819af5bb9
Source of Spectrum C-110-6816-19
Synonyms 7,19-dimethylhexacyclo[11.11.6.1(3,23).1(5,9).1(11,15).1(17,21)]tetratriaconta-1,3(31),5(34),6,8,11(33),12,14,17(32),18,20,23-dodecaene-31,32,33,34-tetrol
Wiley ID 1403893