| SpectraBase Compound ID | JAK2eXP8Uyv |
|---|---|
| InChI | InChI=1S/C54H94O16/c1-12-26-53(65)51(63)31(5)17-15-14-16-18-38(28-32(6)55)20-22-41-34(8)49(36(10)54(69-41)27-25-30(4)48(70-54)33(7)39(56)13-2)67-42(58)23-19-29(3)44(59)35(9)45(60)50(46(61)47(62)52(53)64)68-43-24-21-40(57)37(11)66-43/h14-16,18-19,23,29-41,43-52,55-57,59-65H,12-13,17,20-22,24-28H2,1-11H3/b15-14+,18-16+,23-19+/t29?,30?,31?,32?,33?,34?,35?,36?,37-,38?,39?,40-,41?,43+,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?/m1/s1 |
| InChIKey | ZJMNECRCNSUGSV-YFWSPCHMSA-N |
| Mol Weight | 999.3 g/mol |
| Molecular Formula | C54H94O16 |
| Exact Mass | 998.654187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GF4pFlpFep6 |
|---|---|
| Name | IB-96212 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H94O16 |
| InChI | InChI=1S/C54H94O16/c1-12-26-53(65)51(63)31(5)17-15-14-16-18-38(28-32(6)55)20-22-41-34(8)49(36(10)54(69-41)27-25-30(4)48(70-54)33(7)39(56)13-2)67-42(58)23-19-29(3)44(59)35(9)45(60)50(46(61)47(62)52(53)64)68-43-24-21-40(57)37(11)66-43/h14-16,18-19,23,29-41,43-52,55-57,59-65H,12-13,17,20-22,24-28H2,1-11H3/b15-14+,18-16+,23-19+/t29?,30?,31?,32?,33?,34?,35?,36?,37-,38?,39?,40-,41?,43+,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?/m1/s1 |
| InChIKey | ZJMNECRCNSUGSV-YFWSPCHMSA-N |
| Literature Reference Author | L.M.CANEDO,J.L.F.PUENTES,J.P.BAZ,X.H.HUANG,K.L.RINEHART |
| Literature Reference Citation | J.ANTIBIOTICS,53,479(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.479 |
| Molecular Weight | 999.331 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSW458 |