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GOVNAQHEBUMNCX-FMQRFZSRSA-N
SpectraBase Compound ID 8lKzzvLQtLx
InChI InChI=1S/C44H46O7/c1-46-42(45)28-27-40(48-30-36-19-9-3-10-20-36)43(50-32-38-23-13-5-14-24-38)44(51-33-39-25-15-6-16-26-39)41(49-31-37-21-11-4-12-22-37)34-47-29-35-17-7-2-8-18-35/h2-28,40-41,43-44H,29-34H2,1H3/b28-27+/t40-,41+,43+,44+/m1/s1
InChIKey GOVNAQHEBUMNCX-FMQRFZSRSA-N
Mol Weight 686.8 g/mol
Molecular Formula C44H46O7
Exact Mass 686.324354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FR0YJSGGnpw
Name GOVNAQHEBUMNCX-FMQRFZSRSA-N
Compound Number A5*
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46O7
InChI InChI=1S/C44H46O7/c1-46-42(45)28-27-40(48-30-36-19-9-3-10-20-36)43(50-32-38-23-13-5-14-24-38)44(51-33-39-25-15-6-16-26-39)41(49-31-37-21-11-4-12-22-37)34-47-29-35-17-7-2-8-18-35/h2-28,40-41,43-44H,29-34H2,1H3/b28-27+/t40-,41+,43+,44+/m1/s1
InChIKey GOVNAQHEBUMNCX-FMQRFZSRSA-N
Literature Reference Author H.M.PARK,D.M.PIATAK,J.R.PETERSON,A.M.CLARK
Literature Reference Citation CAN.J.CHEM.,70,1662(1992)
Literature Reference DOI 10.1139/v92-208
Molecular Weight 686.845 g/mol
Solvent CDCl3
Source File Reference UWVP4721