| SpectraBase Compound ID | 435wbr2QFRs |
|---|---|
| InChI | InChI=1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-74,76H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15+,30-20+/t31-,32+,33?,34?,35?,36?,37?,38-,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52+,54?,55?,56?,57-,58?,59?,60+,65+,66?,67?/m1/s1 |
| InChIKey | AAHYWTFSLXCSNH-NAYOJDNNSA-N |
| Mol Weight | 1317.5 g/mol |
| Molecular Formula | C67H100N2O24 |
| Exact Mass | 1316.666602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52yd16QzILA |
|---|---|
| Name | Kijanimicin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C67H100N2O24 |
| InChI | InChI=1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-74,76H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15+,30-20+/t31-,32+,33?,34?,35?,36?,37?,38-,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52+,54?,55?,56?,57-,58?,59?,60+,65+,66?,67?/m1/s1 |
| InChIKey | AAHYWTFSLXCSNH-NAYOJDNNSA-N |
| Literature Reference | A.K. Mallams, M.S. Puar, R.R. Rossman, J. Am. Chem. Soc. 103, 3940 (1981). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |