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6,8A-SECO-6,8A-DEOXY-2,5-DIDEHYDROAVERMECTIN-B-2A

View entire compound with spectra: 1 NMR

6,8A-SECO-6,8A-DEOXY-2,5-DIDEHYDROAVERMECTIN-B-2A
SpectraBase Compound ID 7fzxJshTL4O
InChI InChI=1S/C48H72O13/c1-12-25(2)45-30(7)38(50)24-48(61-45)23-34-19-33(60-48)17-16-28(5)44(27(4)15-13-14-26(3)35-20-37(49)29(6)18-36(35)47(52)57-34)58-42-22-40(54-11)46(32(9)56-42)59-41-21-39(53-10)43(51)31(8)55-41/h13-16,18,20,25,27,30-34,38-46,49-51H,12,17,19,21-24H2,1-11H3/b15-13+,26-14+,28-16+
InChIKey ZRYHPEOHTDJRCY-NPWQRPDHSA-N
Mol Weight 857.1 g/mol
Molecular Formula C48H72O13
Exact Mass 856.497292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmLYKiXXHMB
Name 6,8A-SECO-6,8A-DEOXY-2,5-DIDEHYDROAVERMECTIN-B-2A
Compound Number V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H72O13
InChI InChI=1S/C48H72O13/c1-12-25(2)45-30(7)38(50)24-48(61-45)23-34-19-33(60-48)17-16-28(5)44(27(4)15-13-14-26(3)35-20-37(49)29(6)18-36(35)47(52)57-34)58-42-22-40(54-11)46(32(9)56-42)59-41-21-39(53-10)43(51)31(8)55-41/h13-16,18,20,25,27,30-34,38-46,49-51H,12,17,19,21-24H2,1-11H3/b15-13+,26-14+,28-16+
InChIKey ZRYHPEOHTDJRCY-NPWQRPDHSA-N
Literature Reference Author C.H.PANG,K.MATSUZAKI,H.IKEDA,H.TANAKA,S.OMURA
Literature Reference Citation J.ANTIBIOTICS,48,59(1995)
Literature Reference DOI 10.7164/antibiotics.48.59
Molecular Weight 857.092 g/mol
Solvent CDCl3
Source File Reference UWRU2613