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RNWIFADBGIEMAB-LCFUBQLXSA-N
SpectraBase Compound ID 2GqqxlPcYl9
InChI InChI=1S/C27H42O16/c1-12-17(29)19(31)20(32)25(41-12)43-22-18(30)16(9-39-26-23(34)27(35,10-28)11-40-26)42-24(21(22)33)38-7-6-13-4-5-14(36-2)15(8-13)37-3/h4-5,8,12,16-26,28-35H,6-7,9-11H2,1-3H3/t12-,16-,17-,18-,19+,20+,21-,22+,23?,24-,25-,26?,27?/m1/s1
InChIKey RNWIFADBGIEMAB-LCFUBQLXSA-N
Mol Weight 622.6 g/mol
Molecular Formula C27H42O16
Exact Mass 622.247285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQmWdkE0tI0
Name RNWIFADBGIEMAB-LCFUBQLXSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O16
InChI InChI=1S/C27H42O16/c1-12-17(29)19(31)20(32)25(41-12)43-22-18(30)16(9-39-26-23(34)27(35,10-28)11-40-26)42-24(21(22)33)38-7-6-13-4-5-14(36-2)15(8-13)37-3/h4-5,8,12,16-26,28-35H,6-7,9-11H2,1-3H3/t12-,16-,17-,18-,19+,20+,21-,22+,23?,24-,25-,26?,27?/m1/s1
InChIKey RNWIFADBGIEMAB-LCFUBQLXSA-N
Literature Reference Author K.ENDO,K.TAKAHASHI,T.ABE,H.HIKINO
Literature Reference Citation HETEROCYCLES,19,261(1982)
Literature Reference DOI 10.3987/R-1982-02-0261
Molecular Weight 622.621 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS9278