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1-(O-ALPHA-D-MANNOPYRANOSYL)-29-KETO-(3R,31R)-DOTRIACONTANEDIOL
SpectraBase Compound ID DQd3o0UXjuH
InChI InChI=1S/C38H74O9/c1-31(40)29-33(42)26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(41)27-28-46-38-37(45)36(44)35(43)34(30-39)47-38/h31-32,34-41,43-45H,2-30H2,1H3/t31-,32-,34+,35+,36-,37-,38-/m0/s1
InChIKey JDZCCUPQBXSRFJ-ZBXWJLPLSA-N
Mol Weight 675.0 g/mol
Molecular Formula C38H74O9
Exact Mass 674.533284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADcn2oJfltU
Name 1-(O-ALPHA-D-MANNOPYRANOSYL)-29-KETO-(3R,31R)-DOTRIACONTANEDIOL
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H74O9
InChI InChI=1S/C38H74O9/c1-31(40)29-33(42)26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(41)27-28-46-38-37(45)36(44)35(43)34(30-39)47-38/h31-32,34-41,43-45H,2-30H2,1H3/t31-,32-,34+,35+,36-,37-,38-/m0/s1
InChIKey JDZCCUPQBXSRFJ-ZBXWJLPLSA-N
Literature Reference Author A.GAMBACORTA,E.PAGNOTTA,I.ROMANA,G.SODANO,A.TRINCONE
Literature Reference Citation PHYTOCHEM.,48,801(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00954-0
Molecular Weight 675.000 g/mol
Solvent C5D5N
Source File Reference UWMS1199