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SANTINOL_D
SpectraBase Compound ID LhGI9Kp8yCr
InChI InChI=1S/C29H50O7/c1-7-10-11-12-13-14-15-16-17-19-26(30)36-25(20-34-28(32)22(4)9-3)21-35-29(33)24(6)27(31)23(5)18-8-2/h9,23-25H,7-8,10-21H2,1-6H3/b22-9-/t23?,24?,25-/m1/s1
InChIKey IFZUBZKMSQEICZ-AGQXUDAWSA-N
Mol Weight 510.7 g/mol
Molecular Formula C29H50O7
Exact Mass 510.355654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A04hdBQMsV1
Name SANTINOL_D
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O7
InChI InChI=1S/C29H50O7/c1-7-10-11-12-13-14-15-16-17-19-26(30)36-25(20-34-28(32)22(4)9-3)21-35-29(33)24(6)27(31)23(5)18-8-2/h9,23-25H,7-8,10-21H2,1-6H3/b22-9-/t23?,24?,25-/m1/s1
InChIKey IFZUBZKMSQEICZ-AGQXUDAWSA-N
Literature Reference Author O.TAGLIALATELA-SCAFATI,F.POLLASTRO,G.CHIANESE,A.MINASSI,S.GI BBONS,W.ARUNOTAYANUM
Literature Reference Citation J.NAT.PROD.,76,346(2013)
Literature Reference DOI 10.1021/np3007149
Molecular Weight 510.712 g/mol
Sample ID 42272
Solvent CDCl3