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8-Acetoxy-1-(methyl-pentacarboxylate)-4-(3-hydroxy-2-octenyl)-2,7-dioxa-tricyclo(3.2.1.1/3,6/)nonane
SpectraBase Compound ID 7XujenbmVQO
InChI InChI=1S/C23H36O7/c1-4-5-6-9-16(25)11-12-17-18-14-19-21(17)22(28-15(2)24)23(29-18,30-19)13-8-7-10-20(26)27-3/h11-12,16-19,21-22,25H,4-10,13-14H2,1-3H3/b12-11+/t16?,17-,18+,19-,21+,22+,23-/m0/s1
InChIKey YGBHUMYARNKRMB-LIVHIUOXSA-N
Mol Weight 424.5 g/mol
Molecular Formula C23H36O7
Exact Mass 424.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KE5Uut8SqMH
Name 8-Acetoxy-1-(methyl-pentacarboxylate)-4-(3-hydroxy-2-octenyl)-2,7-dioxa-tricyclo(3.2.1.1/3,6/)nonane
CAS Registry Number 68726-52-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H36O7
InChI InChI=1S/C23H36O7/c1-4-5-6-9-16(25)11-12-17-18-14-19-21(17)22(28-15(2)24)23(29-18,30-19)13-8-7-10-20(26)27-3/h11-12,16-19,21-22,25H,4-10,13-14H2,1-3H3/b12-11+/t16?,17-,18+,19-,21+,22+,23-/m0/s1
InChIKey YGBHUMYARNKRMB-LIVHIUOXSA-N
Instrument Name Varian XL-100
Literature Reference V. Simonidesz, Z. Gambos, G. Kovacs, J. Am. Chem. Soc. 100, 6756 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3