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AZALOMYCIN-F4A-2-ETHYLPENTYLESTER
SpectraBase Compound ID 4eYK3eSc7hj
InChI InChI=1S/C63H109N3O17/c1-11-21-46(12-2)38-80-57(75)36-58(76)81-49-31-47(67)30-48(68)32-52(70)39(3)23-19-25-43(7)59(42(6)22-17-15-13-14-16-18-29-66-62(64)65-10)82-61(78)44(8)26-20-24-40(4)53(71)35-54(72)45(9)51(69)28-27-41(5)56(74)37-63(79)60(77)55(73)34-50(33-49)83-63/h13-14,19-20,23-26,40-43,45-56,59-60,67-74,77,79H,11-12,15-18,21-22,27-38H2,1-10H3,(H3,64,65,66)/b14-13+,24-20+,25-19+,39-23+,44-26+
InChIKey IREJNZDPWSTQDX-BBRAWOGSSA-N
Mol Weight 1180.6 g/mol
Molecular Formula C63H109N3O17
Exact Mass 1179.775699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ETtMe71nzJ
Name AZALOMYCIN-F4A-2-ETHYLPENTYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H109N3O17
InChI InChI=1S/C63H109N3O17/c1-11-21-46(12-2)38-80-57(75)36-58(76)81-49-31-47(67)30-48(68)32-52(70)39(3)23-19-25-43(7)59(42(6)22-17-15-13-14-16-18-29-66-62(64)65-10)82-61(78)44(8)26-20-24-40(4)53(71)35-54(72)45(9)51(69)28-27-41(5)56(74)37-63(79)60(77)55(73)34-50(33-49)83-63/h13-14,19-20,23-26,40-43,45-56,59-60,67-74,77,79H,11-12,15-18,21-22,27-38H2,1-10H3,(H3,64,65,66)/b14-13+,24-20+,25-19+,39-23+,44-26+
InChIKey IREJNZDPWSTQDX-BBRAWOGSSA-N
Literature Reference Author G.YUAN,H.LIN,C.WANG,K.HONG,Y.LIU,J.LI
Literature Reference Citation MAGN.RES.CHEM.,49,30(2011)
Literature Reference DOI 10.1002/mrc.2697
Molecular Weight 1180.568 g/mol
Solvent CD3OD
Source File Reference UWBT12801