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IRYANTHERIN_E_TRIACETATE

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IRYANTHERIN_E_TRIACETATE
SpectraBase Compound ID AgBcDwsR4u1
InChI InChI=1S/C41H40O10/c1-25(42)48-33-18-11-28(12-19-33)7-6-8-31-23-35-37(47-5)24-38(50-27(3)44)39(36(45)22-13-29-9-16-32(46-4)17-10-29)41(35)51-40(31)30-14-20-34(21-15-30)49-26(2)43/h6-7,9-12,14-21,24,31,40H,8,13,22-23H2,1-5H3/b7-6+
InChIKey PWXXABCKBSPCTJ-VOTSOKGWSA-N
Mol Weight 692.8 g/mol
Molecular Formula C41H40O10
Exact Mass 692.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kbEFX94ilT
Name IRYANTHERIN_E_TRIACETATE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40O10
InChI InChI=1S/C41H40O10/c1-25(42)48-33-18-11-28(12-19-33)7-6-8-31-23-35-37(47-5)24-38(50-27(3)44)39(36(45)22-13-29-9-16-32(46-4)17-10-29)41(35)51-40(31)30-14-20-34(21-15-30)49-26(2)43/h6-7,9-12,14-21,24,31,40H,8,13,22-23H2,1-5H3/b7-6+
InChIKey PWXXABCKBSPCTJ-VOTSOKGWSA-N
Literature Reference Author L.M.CONSERVA,M.YOSHIDA,O.R.GOTTLIEB,J.C.MARTINEZ,H.E.GOTTLIE B
Literature Reference Citation PHYTOCHEM.,29,3911(1990)
Literature Reference DOI 10.1016/0031-9422(90)85358-M
Molecular Weight 692.763 g/mol
Solvent CDCl3
Source File Reference UWMZ19601