For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
11,23-dimethyl-5,17-hexadecano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID 9CQ74qWcLTM
InChI InChI=1S/C46H58O4/c1-31-19-35-27-39-23-33-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-34-24-40(28-36(20-31)43(35)47)46(50)42(26-34)30-38-22-32(2)21-37(44(38)48)29-41(25-33)45(39)49/h19-26,47-50H,3-18,27-30H2,1-2H3
InChIKey MQLVDXOLUXVGSY-UHFFFAOYSA-N
Mol Weight 675.0 g/mol
Molecular Formula C46H58O4
Exact Mass 674.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5yXu6XiXiPH
Name 11,23-dimethyl-5,17-hexadecano-25,26,27,28-tetrahydroxycalix[4]arene
CAS Registry Number 115914-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H58O4
InChI InChI=1S/C46H58O4/c1-31-19-35-27-39-23-33-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-34-24-40(28-36(20-31)43(35)47)46(50)42(26-34)30-38-22-32(2)21-37(44(38)48)29-41(25-33)45(39)49/h19-26,47-50H,3-18,27-30H2,1-2H3
InChIKey MQLVDXOLUXVGSY-UHFFFAOYSA-N
Molecular Weight 674.966 g/mol
SMILES Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)C)cc(c6)CCCCCCCCCCCCCCCCc(c4)c3)O)cc(c5)C)O)O
SPLASH splash10-00di-0400009000-4560a9cd103af3c07fa5
Source of Spectrum C-110-6816-26
Synonyms 28,37-dimethylhexacyclo[20.11.7.1(3,32).1(20,24).1(26,30).1(35,39)]tetratetraconta-1,3(42),20,21,23,26(43),27,29,32,35(41),36,38-dodecaene-23,33,41,43-tetrol
Wiley ID 1414115