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MANNOPEPTIMYCIN-ALPHA
SpectraBase Compound ID 6moXXge0sTe
InChI InChI=1S/C54H78N12O25.2C2HF3O2/c1-19(21-5-3-2-4-6-21)31-47(84)60-23(11-20-7-9-22(10-8-20)87-51-43(81)40(78)44(29(18-70)90-51)91-52-42(80)39(77)37(75)28(17-69)89-52)46(83)64-32(34(72)24-12-58-53(55)62-24)49(86)65-33(48(85)61-25(15-67)45(82)57-14-30(71)63-31)35(73)26-13-59-54(56)66(26)50-41(79)38(76)36(74)27(16-68)88-50;2*3-2(4,5)1(6)7/h2-10,19,23-29,31-44,50-52,67-70,72-81H,11-18H2,1H3,(H11,55,56,57,58,59,60,61,62,63,64,65,71,82,83,84,85,86);2*(H,6,7)/t19-,23-,24-,25+,26-,27-,28+,29-,31+,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42-,43+,44-,50+,51+,52+;;/m1../s1
InChIKey SQIWUBDWGNKGGL-CBSQIEEOSA-N
Mol Weight 1523.323 g/mol
Molecular Formula C58H80F6N12O29
Exact Mass 1522.505834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MBa3vzRH7e
Name MANNOPEPTIMYCIN-ALPHA
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H80F6N12O29
InChI InChI=1S/C54H78N12O25.2C2HF3O2/c1-19(21-5-3-2-4-6-21)31-47(84)60-23(11-20-7-9-22(10-8-20)87-51-43(81)40(78)44(29(18-70)90-51)91-52-42(80)39(77)37(75)28(17-69)89-52)46(83)64-32(34(72)24-12-58-53(55)62-24)49(86)65-33(48(85)61-25(15-67)45(82)57-14-30(71)63-31)35(73)26-13-59-54(56)66(26)50-41(79)38(76)36(74)27(16-68)88-50;2*3-2(4,5)1(6)7/h2-10,19,23-29,31-44,50-52,67-70,72-81H,11-18H2,1H3,(H11,55,56,57,58,59,60,61,62,63,64,65,71,82,83,84,85,86);2*(H,6,7)/t19-,23-,24-,25+,26-,27-,28+,29-,31+,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42-,43+,44-,50+,51+,52+;;/m1../s1
InChIKey SQIWUBDWGNKGGL-CBSQIEEOSA-N
Literature Reference Author H.HE,R.T.WILLIAMSON,B.SHEN,E.I.GRAZIANI,H.Y.YANG,S.M.SAKYA,P .J.PETERSON,G.T.CART
Literature Reference Citation J.AM.CHEM.SOC.,124,9729(2002)
Literature Reference DOI 10.1021/ja020257s
Molecular Weight 1523.327 g/mol
Sample ID 34134
Solvent D2O