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7-ALPHA-ACETOXY-18-CHLORO-15,16-EPOXY-4-HYDROXY-6-OXO-4,5-SECO-NEOClERODA-13-(16),14-DIEN-20,12-OLIDE
SpectraBase Compound ID 4zjYGjjiSHb
InChI InChI=1S/C22H29ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11-13,16-18,20,25H,4-6,9-10H2,1-3H3/t12-,13-,16?,17+,18+,20+,22-/m0/s1
InChIKey ZLECURSQLSDQTM-IPBSOIHZSA-N
Mol Weight 440.92 g/mol
Molecular Formula C22H29ClO7
Exact Mass 440.160181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vryqDgd1fQ
Name 7-ALPHA-ACETOXY-18-CHLORO-15,16-EPOXY-4-HYDROXY-6-OXO-4,5-SECO-NEOClERODA-13-(16),14-DIEN-20,12-OLIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29ClO7
InChI InChI=1S/C22H29ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11-13,16-18,20,25H,4-6,9-10H2,1-3H3/t12-,13-,16?,17+,18+,20+,22-/m0/s1
InChIKey ZLECURSQLSDQTM-IPBSOIHZSA-N
Literature Reference Author E.MOESSNER,M.C.DELATORRE,B.RODRIGUEZ
Literature Reference Citation J.NAT.PROD.,59,367(1996)
Literature Reference DOI 10.1021/np9602170
Molecular Weight 440.921 g/mol
Solvent CDCl3
Source File Reference UWVP2407