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30,35-Dihy-37-40-tetrameo-3,7,12,17,22,26-hexame-5,9-10,14,15,19-20,24-tetrametheno-tribenzo(C,G,C)(1,6)dioxacyclotriac
SpectraBase Compound ID 5VImPQFY6fT
InChI InChI=1S/C54H52O6/c1-31-15-17-49-39(19-31)41-21-33(3)23-43(51(41)55-7)45-25-35(5)27-47(53(45)57-9)48-28-36(6)26-46(54(48)58-10)44-24-34(4)22-42(52(44)56-8)40-20-32(2)16-18-50(40)60-30-38-14-12-11-13-37(38)29-59-49/h11-28H,29-30H2,1-10H3
InChIKey XJBMGAOAKOLDLV-UHFFFAOYSA-N
Mol Weight 797.0 g/mol
Molecular Formula C54H52O6
Exact Mass 796.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36tLrt27rxo
Name 30,35-Dihy-37-40-tetrameo-3,7,12,17,22,26-hexame-5,9-10,14,15,19-20,24-tetrametheno-tribenzo(C,G,C)(1,6)dioxacyclotriac
CAS Registry Number 89827-32-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C54H52O6
InChI InChI=1S/C54H52O6/c1-31-15-17-49-39(19-31)41-21-33(3)23-43(51(41)55-7)45-25-35(5)27-47(53(45)57-9)48-28-36(6)26-46(54(48)58-10)44-24-34(4)22-42(52(44)56-8)40-20-32(2)16-18-50(40)60-30-38-14-12-11-13-37(38)29-59-49/h11-28H,29-30H2,1-10H3
InChIKey XJBMGAOAKOLDLV-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference D.J. Cram, M. Degrandpre, C.B. Knobler, J. Am. Chem. Soc. 106, 3286 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3