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7-DEACETYLCANADENSENE

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7-DEACETYLCANADENSENE
SpectraBase Compound ID PBd3jcPG7b
InChI InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21+,22-,23-,24-,27+/m0/s1
InChIKey NHCLXSSUPOPGTR-MZSBIAPQSA-N
Mol Weight 552.6 g/mol
Molecular Formula C28H40O11
Exact Mass 552.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1t1L3pKz3HV
Name 7-DEACETYLCANADENSENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O11
InChI InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21+,22-,23-,24-,27+/m0/s1
InChIKey NHCLXSSUPOPGTR-MZSBIAPQSA-N
Literature Reference Author Y.C.SHEN,S.M.HSU,Y.S.LIN,K.C.CHENG,C.T.CHIEN,C.H.CHOU,Y.B.CH ENG
Literature Reference Citation CHEM.PHARM.BULL.,53,808(2005)
Literature Reference DOI 10.1248/cpb.53.808
Molecular Weight 552.619 g/mol
Sample ID 54040
Solvent CDCl3