| 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
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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 |