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ANNOSQUATIN_II
SpectraBase Compound ID L35oJyLRj9v
InChI InChI=1S/C37H66O8/c1-3-4-13-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-15-12-10-8-6-5-7-9-11-14-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29?,30+,31+,32-,33-,34-,35-,36-/m0/s1
InChIKey WAKFSRBZGHGMPD-SXEZBOEDSA-N
Mol Weight 638.9 g/mol
Molecular Formula C37H66O8
Exact Mass 638.475769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LM5zxA6yLZp
Name ANNOSQUATIN_II
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-13-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-15-12-10-8-6-5-7-9-11-14-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29?,30+,31+,32-,33-,34-,35-,36-/m0/s1
InChIKey WAKFSRBZGHGMPD-SXEZBOEDSA-N
Literature Reference Author Y.CHEN,J.W.CHEN,X.LI
Literature Reference Citation J.NAT.PROD.,74,2477(2011)
Literature Reference DOI 10.1021/np200708q
Molecular Weight 638.926 g/mol
Sample ID 39608
Solvent CDCl3