John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KCCER36JBAb SpectraBase Spectrum ID=1JxmZRJ1UHV

(accessed ).
CLADIELLIN-A
SpectraBase Compound ID KCCER36JBAb
InChI InChI=1S/C27H40O3/c1-17(2)9-14-27(29)18(3)22-7-8-24-21-6-5-19-15-20(28)10-12-25(19,4)23(21)11-13-26(22,24)16-30-27/h10,12,15,17-18,21-24,29H,5-9,11,13-14,16H2,1-4H3/t18-,21+,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey ZHPAKFYPMMYZNI-QMNNYTQVSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JxmZRJ1UHV
Name CLADIELLIN-A
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-17(2)9-14-27(29)18(3)22-7-8-24-21-6-5-19-15-20(28)10-12-25(19,4)23(21)11-13-26(22,24)16-30-27/h10,12,15,17-18,21-24,29H,5-9,11,13-14,16H2,1-4H3/t18-,21+,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey ZHPAKFYPMMYZNI-QMNNYTQVSA-N
Literature Reference Author G.W.ZHANG,X.Q.MA,H.KURIHARA,C.X.ZHANG,X.S.YAO,J.Y.SU,L.M.ZEN G
Literature Reference Citation ORG.LETTERS,7,991(2005)
Literature Reference DOI 10.1021/ol0477475
Molecular Weight 412.613 g/mol
Sample ID 42530
Solvent CD3OD
SpectraBase Batch ID 7KdpXkoutLu