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METHYLPROTONEODIOSCIN
SpectraBase Compound ID 3D2ErBUMtvh
InChI InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26?,27-,28+,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,45-,46+,47?,48+,49-,50+,51+,52-/m1/s1
InChIKey HSSJYSJXBOCKQM-NSHXUXLGSA-N
Mol Weight 1063.2 g/mol
Molecular Formula C52H86O22
Exact Mass 1062.561074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFj3MmMLyK1
Name METHYLPROTONEODIOSCIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H86O22
InChI InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26?,27-,28+,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,45-,46+,47?,48+,49-,50+,51+,52-/m1/s1
InChIKey HSSJYSJXBOCKQM-NSHXUXLGSA-N
Literature Reference Author R.AQUINO,I.BEHAR,F.DESIMONE,M.D'AGOSTINO,C.PIZZA
Literature Reference Citation J.NAT.PROD.,49,1096(1986)
Literature Reference DOI 10.1021/np50048a021
Molecular Weight 1063.242 g/mol
Solvent CD3OD
Source File Reference UWED18147