John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=51uk9QKxg6x SpectraBase Spectrum ID=2AYKDEL5MAL

(accessed ).
LZSACGSEJDYUGC-VYKZVKBDSA-N
SpectraBase Compound ID 51uk9QKxg6x
InChI InChI=1S/C53H82O16/c1-31-26-43(66-53(28-31)44(56)14-13-39(65-53)29-50(8,59)49(58)61-30-32(2)25-35(5)41(69-60)18-23-54)33(3)11-12-38-16-21-52(64-38)22-17-42-48(68-52)45(57)37(7)47(63-42)40(55)27-36(6)46-34(4)15-20-51(67-46)19-9-10-24-62-51/h11-12,28,33-34,36,38-48,54-57,59-60H,2,5,7,9-10,13-27,29-30H2,1,3-4,6,8H3/b12-11+/t33-,34+,36-,38+,39-,40-,41?,42?,43+,44+,45-,46?,47+,48?,50?,51-,52-,53-/m1/s1
InChIKey LZSACGSEJDYUGC-VYKZVKBDSA-N
Mol Weight 975.2 g/mol
Molecular Formula C53H82O16
Exact Mass 974.560287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AYKDEL5MAL
Name LZSACGSEJDYUGC-VYKZVKBDSA-N
Compound Number 12
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H82O16
InChI InChI=1S/C53H82O16/c1-31-26-43(66-53(28-31)44(56)14-13-39(65-53)29-50(8,59)49(58)61-30-32(2)25-35(5)41(69-60)18-23-54)33(3)11-12-38-16-21-52(64-38)22-17-42-48(68-52)45(57)37(7)47(63-42)40(55)27-36(6)46-34(4)15-20-51(67-46)19-9-10-24-62-51/h11-12,28,33-34,36,38-48,54-57,59-60H,2,5,7,9-10,13-27,29-30H2,1,3-4,6,8H3/b12-11+/t33-,34+,36-,38+,39-,40-,41?,42?,43+,44+,45-,46?,47+,48?,50?,51-,52-,53-/m1/s1
InChIKey LZSACGSEJDYUGC-VYKZVKBDSA-N
Literature Reference Author B.SUAREZ-GOMEZ,M.L.SOUTO,P.G.CRUZ,J.J.FERNANDEZ,M.NORTE
Literature Reference Citation J.NAT.PROD.,68,596(2005)
Literature Reference DOI 10.1021/np040183t
Molecular Weight 975.224 g/mol
Solvent CDCl3
Source File Reference UWMZ9645
SpectraBase Batch ID FBwWz9aWwgM