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N-ACETYLATED-PSEUDOAGLYCONE_II
SpectraBase Compound ID 73Z4WmEyIPy
InChI InChI=1S/C65H113NO23/c1-13-16-49(85-54-30-64(12,66-39(11)68)60(79)38(10)83-54)36(8)56(75)40(14-2)20-23-45(70)35(7)50-24-18-33(5)55(74)37(9)51(87-63-59(78)58(77)57(76)53(31-67)88-63)28-47(72)34(6)46(71)26-44-27-48(73)61(80)65(82,89-44)29-52-32(4)17-22-43(84-52)25-42(69)21-19-41(15-3)62(81)86-50/h18-20,23,32,34-38,40,42-61,63,67,69-80,82H,13-17,21-22,24-31H2,1-12H3,(H,66,68)/b23-20+,33-18+,41-19+/t32?,34?,35?,36?,37?,38-,40?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53+,54-,55?,56?,57+,58-,59-,60+,61?,63+,64-,65?/m1/s1
InChIKey PRRPLDHYWSTOCR-SZRHQFODSA-N
Mol Weight 1276.6 g/mol
Molecular Formula C65H113NO23
Exact Mass 1275.770339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3G1BJOjsHAz
Name N-ACETYLATED-PSEUDOAGLYCONE_II
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H113NO23
InChI InChI=1S/C65H113NO23/c1-13-16-49(85-54-30-64(12,66-39(11)68)60(79)38(10)83-54)36(8)56(75)40(14-2)20-23-45(70)35(7)50-24-18-33(5)55(74)37(9)51(87-63-59(78)58(77)57(76)53(31-67)88-63)28-47(72)34(6)46(71)26-44-27-48(73)61(80)65(82,89-44)29-52-32(4)17-22-43(84-52)25-42(69)21-19-41(15-3)62(81)86-50/h18-20,23,32,34-38,40,42-61,63,67,69-80,82H,13-17,21-22,24-31H2,1-12H3,(H,66,68)/b23-20+,33-18+,41-19+/t32?,34?,35?,36?,37?,38-,40?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53+,54-,55?,56?,57+,58-,59-,60+,61?,63+,64-,65?/m1/s1
InChIKey PRRPLDHYWSTOCR-SZRHQFODSA-N
Literature Reference Author H.MURATA,K.SUZUKI,T.TABAYASHI,C.HATTORI,Y.TAKADA,K.I.HARADA, M.SUZUKI,T.IKEMOTO,T
Literature Reference Citation J.ANTIBIOTICS,48,838(1995)
Literature Reference DOI 10.7164/antibiotics.48.838
Molecular Weight 1276.605 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3421