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SAPONIN-1
SpectraBase Compound ID 9t7nJp7j91d
InChI InChI=1S/C35H56O7/c1-30(2)14-16-35(29(39)40)17-15-33(6)20(21(35)18-30)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-34(24,33)7)42-28-27(38)26(37)22(36)19-41-28/h8,21-28,36-38H,9-19H2,1-7H3,(H,39,40)/t21-,22-,23-,24+,25-,26-,27+,28-,32?,33?,34?,35-/m0/s1
InChIKey HZLWUYJLOIAQFC-OQYGPOKJSA-N
Mol Weight 588.8 g/mol
Molecular Formula C35H56O7
Exact Mass 588.402604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQZqZoelZgV
Name SAPONIN-1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H56O7
InChI InChI=1S/C35H56O7/c1-30(2)14-16-35(29(39)40)17-15-33(6)20(21(35)18-30)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-34(24,33)7)42-28-27(38)26(37)22(36)19-41-28/h8,21-28,36-38H,9-19H2,1-7H3,(H,39,40)/t21-,22-,23-,24+,25-,26-,27+,28-,32?,33?,34?,35-/m0/s1
InChIKey HZLWUYJLOIAQFC-OQYGPOKJSA-N
Literature Reference Author V.MSHVILDADZE,R.ELIAS,R.FAURE,L.DEBRAUWER,G.DEKANOSIDZE,E.KE MERTELIDZE,G.BALANSA
Literature Reference Citation CHEM.PHARM.BULL.,49,752(2001)
Literature Reference DOI 10.1248/cpb.49.752
Molecular Weight 588.825 g/mol
Solvent CD3OD
Source File Reference UWLU31727