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5,13,21,29-Tetrahydroxy[2(4)]metacyclophane
SpectraBase Compound ID 43e3Q6qQvtb
InChI InChI=1S/C32H32O4/c33-29-13-21-1-2-22-10-24(16-30(34)14-22)5-6-26-12-28(20-32(36)18-26)8-7-27-11-25(17-31(35)19-27)4-3-23(9-21)15-29/h9-20,33-36H,1-8H2
InChIKey VLNKBASWHMZNLV-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C32H32O4
Exact Mass 480.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnEtqGsHZKa
Name 5,13,21,29-Tetrahydroxy[2(4)]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32O4
InChI InChI=1S/C32H32O4/c33-29-13-21-1-2-22-10-24(16-30(34)14-22)5-6-26-12-28(20-32(36)18-26)8-7-27-11-25(17-31(35)19-27)4-3-23(9-21)15-29/h9-20,33-36H,1-8H2
InChIKey VLNKBASWHMZNLV-UHFFFAOYSA-N
Molecular Weight 480.604 g/mol
SMILES Oc1cc2cc(CCc3cc(CCc4cc(CCc5cc(cc(c5)O)CC2)cc(c4)O)cc(c3)O)c1
SPLASH splash10-001i-0111900000-82572a59143ecf703e90
Source of Spectrum K-126-2488-17
Synonyms Pentacyclo[23.3.1.1(4,8).1(11,15).1(18,22)]dotriaconta-1(29),4(32),5,7,11(31),12,14,18(30),19,21,25,27-dodecaene-6,13,20,27-tetrol
Wiley ID 1395317