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6,7,7a,8,9,13b,21,22,22a,23,24,28b-Dodecahydro-2,17-dithia-[3.3](3,10)benzo[C]phenanthrenophane

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6,7,7a,8,9,13b,21,22,22a,23,24,28b-Dodecahydro-2,17-dithia-[3.3](3,10)benzo[C]phenanthrenophane
SpectraBase Compound ID 5N2N7wvZBg7
InChI InChI=1S/C40H40S2/c1-13-35-31-9-5-29-6-10-32-19-27(2-14-36(32)39(29)35)23-42-24-28-4-16-38-34(20-28)12-8-30-7-11-33-18-26(3-15-37(33)40(30)38)22-41-21-25(1)17-31/h1-4,13-20,29-30,39-40H,5-12,21-24H2
InChIKey JUSPNXVRSGFVCS-UHFFFAOYSA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H40S2
Exact Mass 584.257144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFThCEFkWM4
Name 6,7,7a,8,9,13b,21,22,22a,23,24,28b-Dodecahydro-2,17-dithia-[3.3](3,10)benzo[C]phenanthrenophane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H40S2
InChI InChI=1S/C40H40S2/c1-13-35-31-9-5-29-6-10-32-19-27(2-14-36(32)39(29)35)23-42-24-28-4-16-38-34(20-28)12-8-30-7-11-33-18-26(3-15-37(33)40(30)38)22-41-21-25(1)17-31/h1-4,13-20,29-30,39-40H,5-12,21-24H2
InChIKey JUSPNXVRSGFVCS-UHFFFAOYSA-N
Literature Reference D.J. Funhoff, H.A. Staab, Angew. Chem. 98, 757 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3