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CIS-ATRACTYLOSIDE-I
SpectraBase Compound ID 85DhPRSz7nS
InChI InChI=1S/C27H44O13/c1-11-13-7-12(26(2,3)40-25-22(36)20(34)18(32)16(10-29)38-25)5-6-27(13,4)8-14(30)23(11)39-24-21(35)19(33)17(31)15(9-28)37-24/h12-13,15-22,24-25,28-29,31-36H,5-10H2,1-4H3/t12-,13-,15-,16+,17-,18+,19+,20-,21-,22+,24+,25-,27+/m1/s1
InChIKey XMFJYFXSIKDRHJ-QIPKHWSOSA-N
Mol Weight 576.6 g/mol
Molecular Formula C27H44O13
Exact Mass 576.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AruaSLo9fW
Name CIS-ATRACTYLOSIDE-I
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O13
InChI InChI=1S/C27H44O13/c1-11-13-7-12(26(2,3)40-25-22(36)20(34)18(32)16(10-29)38-25)5-6-27(13,4)8-14(30)23(11)39-24-21(35)19(33)17(31)15(9-28)37-24/h12-13,15-22,24-25,28-29,31-36H,5-10H2,1-4H3/t12-,13-,15-,16+,17-,18+,19+,20-,21-,22+,24+,25-,27+/m1/s1
InChIKey XMFJYFXSIKDRHJ-QIPKHWSOSA-N
Literature Reference Author J.KITAJIMA,A.KAMOSHITA,T.ISHIKAWA,A.TAKANO,T.FUKUDA,S.ISODA, Y.IDA
Literature Reference Citation CHEM.PHARM.BULL.,51,673(2003)
Literature Reference DOI 10.1248/cpb.51.673
Molecular Weight 576.639 g/mol
Solvent C5D5N
Source File Reference UWMS21453