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4-ACETOXYTHORECTIDAEOLIDE_A

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4-ACETOXYTHORECTIDAEOLIDE_A
SpectraBase Compound ID BWNFjgYlPYG
InChI InChI=1S/C27H38O5/c1-18(10-13-23-20(3)12-15-25(29)27(23,5)6)8-7-9-19(2)11-14-24(32-21(4)28)22-16-26(30)31-17-22/h8,11,16,24H,7,9-10,12-15,17H2,1-6H3/b18-8+,19-11+/t24-/m1/s1
InChIKey AEZAGVMKPMJSBP-XFAJUAHPSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDI7IIs1ov4
Name 4-ACETOXYTHORECTIDAEOLIDE_A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-18(10-13-23-20(3)12-15-25(29)27(23,5)6)8-7-9-19(2)11-14-24(32-21(4)28)22-16-26(30)31-17-22/h8,11,16,24H,7,9-10,12-15,17H2,1-6H3/b18-8+,19-11+/t24-/m1/s1
InChIKey AEZAGVMKPMJSBP-XFAJUAHPSA-N
Literature Reference Author J.LI,L.DU,M.KELLY,Y.D.ZHOU,D.G.NAGLE
Literature Reference Citation J.NAT.PROD.,76,1492(2013)
Literature Reference DOI 10.1021/np400350k
Molecular Weight 442.596 g/mol
Solvent CDCl3
Source File Reference UWMZ43066