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1-O-ACETYLROCAGLAOL

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1-O-ACETYLROCAGLAOL
SpectraBase Compound ID Jptf4UhukH7
InChI InChI=1S/C28H28O7/c1-17(29)34-25-16-22(18-8-6-5-7-9-18)28(19-10-12-20(31-2)13-11-19)27(25,30)26-23(33-4)14-21(32-3)15-24(26)35-28/h5-15,22,25,30H,16H2,1-4H3/t22-,25+,27+,28-/m0/s1
InChIKey CGFKKPRGWNMNFP-CEYYOHNYSA-N
Mol Weight 476.53 g/mol
Molecular Formula C28H28O7
Exact Mass 476.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hpevGNlOZ6
Name 1-O-ACETYLROCAGLAOL
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28O7
InChI InChI=1S/C28H28O7/c1-17(29)34-25-16-22(18-8-6-5-7-9-18)28(19-10-12-20(31-2)13-11-19)27(25,30)26-23(33-4)14-21(32-3)15-24(26)35-28/h5-15,22,25,30H,16H2,1-4H3/t22-,25+,27+,28-/m0/s1
InChIKey CGFKKPRGWNMNFP-CEYYOHNYSA-N
Literature Reference Author J.F.RIVERO-CRUZ,H.B.CHAI,L.B.S.KARDONO,F.M.SETYOWATI,J.J.AFR IATINI,S.RISWAN,N.R.
Literature Reference Citation J.NAT.PROD.,67,343(2004)
Literature Reference DOI 10.1021/np0304417
Molecular Weight 476.526 g/mol
Solvent CDCl3
Source File Reference UWKP4048