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3-O-ACETYL-2-O-OCTADECANOYL-ALPHA,ALPHA-D-TREHALOSE
SpectraBase Compound ID 6TwQ1oW4PgF
InChI InChI=1S/C32H58O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(35)44-30-28(39)26(37)23(20-41-21(2)34)43-32(30)45-31-29(40)27(38)25(36)22(19-33)42-31/h22-23,25-33,36-40H,3-20H2,1-2H3/t22-,23+,25-,26+,27+,28-,29-,30+,31-,32+/m0/s1
InChIKey SFXQGFQDGMHFCG-NPMFFISESA-N
Mol Weight 650.8 g/mol
Molecular Formula C32H58O13
Exact Mass 650.387742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Hw9vhbwwiB
Name 3-O-ACETYL-2-O-OCTADECANOYL-ALPHA,ALPHA-D-TREHALOSE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H58O13
InChI InChI=1S/C32H58O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(35)44-30-28(39)26(37)23(20-41-21(2)34)43-32(30)45-31-29(40)27(38)25(36)22(19-33)42-31/h22-23,25-33,36-40H,3-20H2,1-2H3/t22-,23+,25-,26+,27+,28-,29-,30+,31-,32+/m0/s1
InChIKey SFXQGFQDGMHFCG-NPMFFISESA-N
Literature Reference Author W.A.AYER,S.MIAO
Literature Reference Citation J.NAT.PROD.,56,2046(1993)
Literature Reference DOI 10.1021/np50102a004
Molecular Weight 650.805 g/mol
Solvent CDCl3:CD3OD=85:15
Source File Reference UWCS17966