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ANNOSQUATIN_I
SpectraBase Compound ID JtyB6uLoXPT
InChI InChI=1S/C37H66O8/c1-3-4-19-32(40)36(41)35-25-24-34(45-35)31(39)22-21-30(38)33-23-20-29(44-33)18-16-14-12-10-8-6-5-7-9-11-13-15-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31-,32+,33-,34-,35-,36+/m0/s1
InChIKey RWJFJCUKDFQLBE-BSLWPWPWSA-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 8FCgByyvStU
Name ANNOSQUATIN_I
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-19-32(40)36(41)35-25-24-34(45-35)31(39)22-21-30(38)33-23-20-29(44-33)18-16-14-12-10-8-6-5-7-9-11-13-15-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31-,32+,33-,34-,35-,36+/m0/s1
InChIKey RWJFJCUKDFQLBE-BSLWPWPWSA-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 39607
Solvent CDCl3