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11,23-bis{(Propylthio)methyl}-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
SpectraBase Compound ID 6UnuqmQzI34
InChI InChI=1S/C38H44O4S2/c1-5-13-43-23-25-15-31-19-27-9-7-11-29(37(27)41-3)21-33-17-26(24-44-14-6-2)18-34(36(33)40)22-30-12-8-10-28(38(30)42-4)20-32(16-25)35(31)39/h7-12,15-18,39-40H,5-6,13-14,19-24H2,1-4H3
InChIKey MMULSOHQWJQZHP-UHFFFAOYSA-N
Mol Weight 628.9 g/mol
Molecular Formula C38H44O4S2
Exact Mass 628.268102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsCbK6ejyru
Name 11,23-bis{(Propylthio)methyl}-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44O4S2
InChI InChI=1S/C38H44O4S2/c1-5-13-43-23-25-15-31-19-27-9-7-11-29(37(27)41-3)21-33-17-26(24-44-14-6-2)18-34(36(33)40)22-30-12-8-10-28(38(30)42-4)20-32(16-25)35(31)39/h7-12,15-18,39-40H,5-6,13-14,19-24H2,1-4H3
InChIKey MMULSOHQWJQZHP-UHFFFAOYSA-N
Molecular Weight 628.886 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)CSCCC)ccc5)OC)cc(c4)CSCCC)O)ccc3)OC
SPLASH splash10-014i-0100920000-8f9b01f6342d1a9bb389
Source of Spectrum SK-25-1117-6
Synonyms 26,28-dimethoxy-11,23-bis[(propylsulfanyl)methyl]pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diol
Wiley ID 866609