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34,35,36,37,38,39-Hexamethoxy-28-thia-heptacyclo(28.3.1.1/2,6/.1/7,11/.1/12,16/.1/17,21/.1/22,26/)nonatriacontaoctadeca
SpectraBase Compound ID Bv0g4LQ3f2F
InChI InChI=1S/C44H40O6S/c1-45-39-27-13-7-15-29(39)31-17-9-19-33(41(31)47-3)35-21-11-23-37(43(35)49-5)38-24-12-22-36(44(38)50-6)34-20-10-18-32(42(34)48-4)30-16-8-14-28(26-51-25-27)40(30)46-2/h7-24H,25-26H2,1-6H3
InChIKey XIAWROOVKHEOLH-UHFFFAOYSA-N
Mol Weight 696.9 g/mol
Molecular Formula C44H40O6S
Exact Mass 696.25456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOb28Ev8evQ
Name 34,35,36,37,38,39-Hexamethoxy-28-thia-heptacyclo(28.3.1.1/2,6/.1/7,11/.1/12,16/.1/17,21/.1/22,26/)nonatriacontaoctadeca
CAS Registry Number 89827-29-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H40O6S
InChI InChI=1S/C44H40O6S/c1-45-39-27-13-7-15-29(39)31-17-9-19-33(41(31)47-3)35-21-11-23-37(43(35)49-5)38-24-12-22-36(44(38)50-6)34-20-10-18-32(42(34)48-4)30-16-8-14-28(26-51-25-27)40(30)46-2/h7-24H,25-26H2,1-6H3
InChIKey XIAWROOVKHEOLH-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