John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Cbs1F9dzGS9 SpectraBase Spectrum ID=1Km87vXKmZq

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Affinoside-O-diacetate
SpectraBase Compound ID Cbs1F9dzGS9
InChI InChI=1S/C34H44O12/c1-16-11-24(41-6)28(38)31(43-16)46-23-13-20-7-8-22-27(32(20,4)14-25(23)44-17(2)35)29(39)30(45-18(3)36)33(5)21(9-10-34(22,33)40)19-12-26(37)42-15-19/h11-12,16,20-23,25,27,30-31,40H,7-10,13-15H2,1-6H3/t16-,20+,21+,22+,23+,25+,27+,30+,31+,32-,33-,34-/m0/s1
InChIKey KVZBFOSBZBGVFX-IEAMLZKCSA-N
Mol Weight 644.7 g/mol
Molecular Formula C34H44O12
Exact Mass 644.283277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Km87vXKmZq
Name AFFINOSIDE-O-DIACETATE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44O12
InChI InChI=1S/C34H44O12/c1-16-11-24(41-6)28(38)31(43-16)46-23-13-20-7-8-22-27(32(20,4)14-25(23)44-17(2)35)29(39)30(45-18(3)36)33(5)21(9-10-34(22,33)40)19-12-26(37)42-15-19/h11-12,16,20-23,25,27,30-31,40H,7-10,13-15H2,1-6H3/t16-,20+,21+,22+,23+,25+,27+,30+,31+,32-,33-,34-/m0/s1
InChIKey KVZBFOSBZBGVFX-IEAMLZKCSA-N
Literature Reference Author F.ABE,T.YAMAUCHI,T.FUJIOKA,K.MIHASHI
Literature Reference Citation CHEM.PHARM.BULL.,34,2774(1986)
Literature Reference DOI 10.1248/cpb.34.2774
Molecular Weight 644.716 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK249
SpectraBase Batch ID 7e6SjXzVhWc