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CELAFOLIN-D3
SpectraBase Compound ID 8hzD0uq7Omz
InChI InChI=1S/C36H44O9/c1-8-21(2)31(38)43-28-27-29(41-23(4)37)36(45-34(27,5)6)22(3)19-20-26(42-32(39)24-15-11-9-12-16-24)35(36,7)30(28)44-33(40)25-17-13-10-14-18-25/h9-18,21-22,26-30H,8,19-20H2,1-7H3/t21?,22-,26+,27-,28-,29+,30-,35+,36-/m1/s1
InChIKey QRMLGBWNPDNAHQ-HFABSQTCSA-N
Mol Weight 620.7 g/mol
Molecular Formula C36H44O9
Exact Mass 620.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnjENDHrBhl
Name CELAFOLIN-D3
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44O9
InChI InChI=1S/C36H44O9/c1-8-21(2)31(38)43-28-27-29(41-23(4)37)36(45-34(27,5)6)22(3)19-20-26(42-32(39)24-15-11-9-12-16-24)35(36,7)30(28)44-33(40)25-17-13-10-14-18-25/h9-18,21-22,26-30H,8,19-20H2,1-7H3/t21?,22-,26+,27-,28-,29+,30-,35+,36-/m1/s1
InChIKey QRMLGBWNPDNAHQ-HFABSQTCSA-N
Literature Reference Author Y.TAKAISHI,S.OHSHIMA,K.NAKANO,T.TOMIMATSU,H.TOKUDA,H.NISHINO ,A.IWASHIMA
Literature Reference Citation J.NAT.PROD.,56,815(1993)
Literature Reference DOI 10.1021/np50096a003
Molecular Weight 620.740 g/mol
Solvent CDCl3
Source File Reference UWCS4116