John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DPHtiSvyy4u SpectraBase Spectrum ID=29vgsMfnVBq

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AGOSTEROL-A3
SpectraBase Compound ID DPHtiSvyy4u
InChI InChI=1S/C35H54O8/c1-10-23(18(2)3)15-27(39)19(4)25-11-12-26-24-16-30(42-21(6)37)32-33(43-22(7)38)29(41-20(5)36)13-14-34(32,8)31(24)28(40)17-35(25,26)9/h10,16,18-19,25-33,39-40H,11-15,17H2,1-9H3/b23-10-/t19-,25+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+/m0/s1
InChIKey SQHIJUNAPLAJLM-PMPKZUJCSA-N
Mol Weight 602.8 g/mol
Molecular Formula C35H54O8
Exact Mass 602.381869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29vgsMfnVBq
Name AGOSTEROL-A3
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H54O8
InChI InChI=1S/C35H54O8/c1-10-23(18(2)3)15-27(39)19(4)25-11-12-26-24-16-30(42-21(6)37)32-33(43-22(7)38)29(41-20(5)36)13-14-34(32,8)31(24)28(40)17-35(25,26)9/h10,16,18-19,25-33,39-40H,11-15,17H2,1-9H3/b23-10-/t19-,25+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+/m0/s1
InChIKey SQHIJUNAPLAJLM-PMPKZUJCSA-N
Literature Reference Author S.TSUKAMOTO,M.TATSUNO,R.W.M.VANSOEST,H.YOKOSAWA,T.OHTA
Literature Reference Citation J.NAT.PROD.,66,1181(2003)
Literature Reference DOI 10.1021/np030120v
Molecular Weight 602.809 g/mol
Solvent CDCl3
Source File Reference UWSP973
SpectraBase Batch ID GYxtq6dftRy