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SHANZHISIDE-METHYLESTER-HEXA-ACETATE

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SHANZHISIDE-METHYLESTER-HEXA-ACETATE
SpectraBase Compound ID 6puEUPxXQob
InChI InChI=1S/C29H38O17/c1-12(30)38-11-20-23(41-14(3)32)24(42-15(4)33)25(43-16(5)34)28(44-20)45-27-22-21(18(10-39-27)26(36)37-8)19(40-13(2)31)9-29(22,7)46-17(6)35/h10,19-25,27-28H,9,11H2,1-8H3/t19-,20+,21+,22-,23+,24-,25+,27+,28-,29+/m1/s1
InChIKey QNKKZQRQAFJWJR-TYBHSZOFSA-N
Mol Weight 658.6 g/mol
Molecular Formula C29H38O17
Exact Mass 658.2109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dl7Oi9jp1R
Name SHANZHISIDE-METHYLESTER-HEXA-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O17
InChI InChI=1S/C29H38O17/c1-12(30)38-11-20-23(41-14(3)32)24(42-15(4)33)25(43-16(5)34)28(44-20)45-27-22-21(18(10-39-27)26(36)37-8)19(40-13(2)31)9-29(22,7)46-17(6)35/h10,19-25,27-28H,9,11H2,1-8H3/t19-,20+,21+,22-,23+,24-,25+,27+,28-,29+/m1/s1
InChIKey QNKKZQRQAFJWJR-TYBHSZOFSA-N
Literature Reference Author L.T.BYRNE,J.M.SASSE,B.W.SKELTON,A.SUKSAMRARN,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,40,785(1987)
Literature Reference DOI 10.1071/ch9870785
Molecular Weight 658.611 g/mol
Solvent CDCl3
Source File Reference UWWR125