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CALYCULAGLYCOSIDE-D
SpectraBase Compound ID JjnKRfC2P2r
InChI InChI=1S/C28H46O7/c1-18-9-7-11-19(2)13-15-22(16-14-20(3)12-8-10-18)28(5,6)35-27-26(32)25(31)24(30)23(34-27)17-33-21(4)29/h9,12-13,22-27,30-32H,7-8,10-11,14-17H2,1-6H3/b18-9+,19-13+,20-12+/t22-,23+,24-,25-,26+,27-/m1/s1
InChIKey CJUXBFMESPSGKO-YKVYYFNFSA-N
Mol Weight 494.7 g/mol
Molecular Formula C28H46O7
Exact Mass 494.324354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EF5diyUvbhL
Name CALYCULAGLYCOSIDE-D
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O7
InChI InChI=1S/C28H46O7/c1-18-9-7-11-19(2)13-15-22(16-14-20(3)12-8-10-18)28(5,6)35-27-26(32)25(31)24(30)23(34-27)17-33-21(4)29/h9,12-13,22-27,30-32H,7-8,10-11,14-17H2,1-6H3/b18-9+,19-13+,20-12+/t22-,23+,24-,25-,26+,27-/m1/s1
InChIKey CJUXBFMESPSGKO-YKVYYFNFSA-N
Literature Reference Author Y.P.SHI,A.D.RODRIGUEZ,O.L.PADILLA
Literature Reference Citation J.NAT.PROD.,64,1439(2001)
Literature Reference DOI 10.1021/np0104121
Molecular Weight 494.669 g/mol
Solvent CDCl3
Source File Reference UWSI2314