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3,6,6'-TRI-O-ACETYL-2-O-OCTADECANOYL-ALPHA,ALPHA-D-TREHALOSE
SpectraBase Compound ID 8YetHkkBONX
InChI InChI=1S/C36H62O15/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(40)50-34-33(47-25(4)39)30(42)27(22-46-24(3)38)49-36(34)51-35-32(44)31(43)29(41)26(48-35)21-45-23(2)37/h26-27,29-36,41-44H,5-22H2,1-4H3/t26-,27+,29-,30+,31+,32-,33-,34+,35-,36+/m1/s1
InChIKey YTSDYPBFZODQLO-AZPRPNKCSA-N
Mol Weight 734.9 g/mol
Molecular Formula C36H62O15
Exact Mass 734.408871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pqZMcnQftg
Name 3,6,6'-TRI-O-ACETYL-2-O-OCTADECANOYL-ALPHA,ALPHA-D-TREHALOSE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H62O15
InChI InChI=1S/C36H62O15/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(40)50-34-33(47-25(4)39)30(42)27(22-46-24(3)38)49-36(34)51-35-32(44)31(43)29(41)26(48-35)21-45-23(2)37/h26-27,29-36,41-44H,5-22H2,1-4H3/t26-,27+,29-,30+,31+,32-,33-,34+,35-,36+/m1/s1
InChIKey YTSDYPBFZODQLO-AZPRPNKCSA-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 734.879 g/mol
Solvent CDCl3:CD3OD=85:15
Source File Reference UWCS17970