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(TABLE-3)
SpectraBase Compound ID 68JXDadJvi
InChI InChI=1S/C30H30O7/c1-14(2)7-8-17-27-16(9-10-30(5,6)37-27)25(33)24-26(34)23-22(11-15(3)4)35-21-13-20(32)19(31)12-18(21)29(23)36-28(17)24/h7,9-13,22,31-33H,8H2,1-6H3
InChIKey ZZPIXEJZTXAVCX-UHFFFAOYSA-N
Mol Weight 502.56 g/mol
Molecular Formula C30H30O7
Exact Mass 502.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YavKdZmcgN
Name Cyclo-heterophyllin
CAS Registry Number 36545-53-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H30O7
InChI InChI=1S/C30H30O7/c1-14(2)7-8-17-27-16(9-10-30(5,6)37-27)25(33)24-26(34)23-22(11-15(3)4)35-21-13-20(32)19(31)12-18(21)29(23)36-28(17)24/h7,9-13,22,31-33H,8H2,1-6H3
InChIKey ZZPIXEJZTXAVCX-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference M. Parthasarathy, K. Ranganathan, Phytochem. 18, 506 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6