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#1;ENACYLOXIN-II;3-(19'-CARBAMOYLOXY-11',18'-DICHLORO-6',12'-DIMETHYL-15'-OXO-13',14',17'-TRIHYDROXYTRICOSA-2',4',6',8',10',20'-HEXAENOYLOXY)-4-HYDROXY-1-CYCLO
SpectraBase Compound ID AQ8l6VoDLPf
InChI InChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12+/t20?,21-,23-,24?,26?,27+,29?,30?,31?/m0/s1
InChIKey IWBADCVFZDCUTN-UFIMGZRVSA-N
Mol Weight 702.6 g/mol
Molecular Formula C33H45Cl2NO11
Exact Mass 701.236967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12d2wkKdGuQ
Name #1;ENACYLOXIN-II;3-(19'-CARBAMOYLOXY-11',18'-DICHLORO-6',12'-DIMETHYL-15'-OXO-13',14',17'-TRIHYDROXYTRICOSA-2',4',6',8',10',20'-HEXAENOYLOXY)-4-HYDROXY-1-CYCLO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45Cl2NO11
InChI InChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12+/t20?,21-,23-,24?,26?,27+,29?,30?,31?/m0/s1
InChIKey IWBADCVFZDCUTN-UFIMGZRVSA-N
Literature Reference Author T.WATANABE,T.SUGIYAMA,M.TAKAHASHI,J.SHIMA,K.YAMASHITA,K.IZAK I,K.FURIHATA,H.SETO
Literature Reference Citation AGR.BIOL.CHEM.,54,259(1990)
Literature Reference DOI 10.1271/bbb1961.54.259
Molecular Weight 702.626 g/mol
Solvent CD3OD
Source File Reference UWBT7921