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COCHINCHISIDE-1-TETRAACETATE

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COCHINCHISIDE-1-TETRAACETATE
SpectraBase Compound ID IquRq0qmo8d
InChI InChI=1S/C35H34O14/c1-20(36)42-19-29-30(45-22(3)38)31(49-33(40)24-12-6-5-7-13-24)32(46-23(4)39)35(48-29)47-27-16-10-8-14-25(27)18-43-34(41)26-15-9-11-17-28(26)44-21(2)37/h5-17,29-32,35H,18-19H2,1-4H3/t29-,30-,31+,32-,35-/m1/s1
InChIKey UVZYPBSJLYLUAR-ULUMMAHWSA-N
Mol Weight 678.6 g/mol
Molecular Formula C35H34O14
Exact Mass 678.194856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6enG7ql4yjo
Name COCHINCHISIDE-1-TETRAACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H34O14
InChI InChI=1S/C35H34O14/c1-20(36)42-19-29-30(45-22(3)38)31(49-33(40)24-12-6-5-7-13-24)32(46-23(4)39)35(48-29)47-27-16-10-8-14-25(27)18-43-34(41)26-15-9-11-17-28(26)44-21(2)37/h5-17,29-32,35H,18-19H2,1-4H3/t29-,30-,31+,32-,35-/m1/s1
InChIKey UVZYPBSJLYLUAR-ULUMMAHWSA-N
Literature Reference Author T.ISHIKAWA,K.NISHIGAYA,K.TAKAMI,H.UCHIKOSHI,I.S.CHEN,I.L.TSA I
Literature Reference Citation J.NAT.PROD.,67,659(2004)
Literature Reference DOI 10.1021/np034052o
Molecular Weight 678.647 g/mol
Solvent CDCl3
Source File Reference UWMZ7002